PubChemLite - 1-piperidinecarboxamide, 4-[[[(2e)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2(10h)-phenazinylidene]amino]methyl]-n-(1-methylethyl)- (C34H34Cl2N6O)

Structural Information

Molecular Formula

SMILES

CC(C)NC(=O)N1CCC(CC1)CN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl

InChI

InChI=1S/C34H34Cl2N6O/c1-22(2)38-34(43)41-17-15-23(16-18-41)21-37-29-20-33-31(19-30(29)39-26-11-7-24(35)8-12-26)40-28-5-3-4-6-32(28)42(33)27-13-9-25(36)10-14-27/h3-14,19-20,22-23,39H,15-18,21H2,1-2H3,(H,38,43)

InChIKey

WNHKJXJYVCVEFL-UHFFFAOYSA-N

Compound name

4-[[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]methyl]-N-propan-2-ylpiperidine-1-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	613.22438	245.3
[M+Na]+	635.20632	249.5
[M-H]-	611.20982	253.5
[M+NH4]+	630.25092	245.4
[M+K]+	651.18026	240.1
[M+H-H2O]+	595.21436	229.7
[M+HCOO]-	657.21530	249.1
[M+CH3COO]-	671.23095	248.2
[M+Na-2H]-	633.19177	245.3
[M]+	612.21655	245.8
[M]-	612.21765	245.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

613.22438

245.3

[M+Na]+

635.20632

249.5

[M-H]-

611.20982

253.5

[M+NH4]+

630.25092

245.4

[M+K]+

651.18026

240.1

[M+H-H2O]+

595.21436

229.7

[M+HCOO]-

657.21530

249.1

[M+CH3COO]-

671.23095

248.2

[M+Na-2H]-

633.19177

245.3

[M]+

612.21655

245.8

[M]-

612.21765

245.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-piperidinecarboxamide, 4-[[[(2e)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2(10h)-phenazinylidene]amino]methyl]-n-(1-methylethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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