PubChemLite - Schembl7572548 (C33H29Cl6N5)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1)(C)C)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC(=C(C(=C5)Cl)Cl)Cl)C=C2NC6=CC(=C(C(=C6)Cl)Cl)Cl)C

InChI

InChI=1S/C33H29Cl6N5/c1-32(2)15-18(16-33(3,4)43-32)41-26-14-29-27(13-25(26)40-17-9-20(34)30(38)21(35)10-17)42-24-7-5-6-8-28(24)44(29)19-11-22(36)31(39)23(37)12-19/h5-14,18,40,43H,15-16H2,1-4H3

InChIKey

KQDZTUYSUQMVFB-UHFFFAOYSA-N

Compound name

3-(2,2,6,6-tetramethylpiperidin-4-yl)imino-N,5-bis(3,4,5-trichlorophenyl)phenazin-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]+	706.06268	243.4
[M+Na]+	728.04462	251.8
[M-H]-	704.04812	243.6
[M+NH4]+	723.08922	244.8
[M+K]+	744.01856	246.3
[M+H-H2O]+	688.05266	229.6
[M+HCOO]-	750.05360	227.6
[M+CH3COO]-	764.06925	243.7
[M+Na-2H]-	726.03007	237.6
[M]+	705.05485	243.0
[M]-	705.05595	243.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

706.06268

243.4

[M+Na]+

728.04462

251.8

[M-H]-

704.04812

243.6

[M+NH4]+

723.08922

244.8

[M+K]+

744.01856

246.3

[M+H-H2O]+

688.05266

229.6

[M+HCOO]-

750.05360

227.6

[M+CH3COO]-

764.06925

243.7

[M+Na-2H]-

726.03007

237.6

[M]+

705.05485

243.0

[M]-

705.05595

243.0

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

Schembl7572548

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe