PubChemLite - Schembl8820205 (C33H33Cl2N5)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1)(C)C)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=CC=C5Cl)C=C2NC6=CC=CC=C6Cl)C

InChI

InChI=1S/C33H33Cl2N5/c1-32(2)19-21(20-33(3,4)39-32)36-27-18-31-28(17-26(27)37-24-13-7-5-11-22(24)34)38-25-14-8-10-16-30(25)40(31)29-15-9-6-12-23(29)35/h5-18,21,37,39H,19-20H2,1-4H3

InChIKey

KTZREMSCMDGXKL-UHFFFAOYSA-N

Compound name

N,5-bis(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)iminophenazin-2-amine

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]+	570.21858	239.6
[M+Na]+	592.20052	248.6
[M-H]-	568.20402	247.6
[M+NH4]+	587.24512	245.6
[M+K]+	608.17446	237.5
[M+H-H2O]+	552.20856	223.1
[M+HCOO]-	614.20950	243.0
[M+CH3COO]-	628.22515	244.1
[M+Na-2H]-	590.18597	241.0
[M]+	569.21075	239.9
[M]-	569.21185	239.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

570.21858

239.6

[M+Na]+

592.20052

248.6

[M-H]-

568.20402

247.6

[M+NH4]+

587.24512

245.6

[M+K]+

608.17446

237.5

[M+H-H2O]+

552.20856

223.1

[M+HCOO]-

614.20950

243.0

[M+CH3COO]-

628.22515

244.1

[M+Na-2H]-

590.18597

241.0

[M]+

569.21075

239.9

[M]-

569.21185

239.9

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

Schembl8820205

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe