PubChemLite - Carbazole-1,3,6-trisulfonanisidide (C33H30N4O9S3)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC4=C3C=C(C=C4S(=O)(=O)NC5=CC=C(C=C5)OC)S(=O)(=O)NC6=CC=C(C=C6)OC

InChI

InChI=1S/C33H30N4O9S3/c1-44-24-10-4-21(5-11-24)35-47(38,39)27-16-17-31-29(18-27)30-19-28(48(40,41)36-22-6-12-25(45-2)13-7-22)20-32(33(30)34-31)49(42,43)37-23-8-14-26(46-3)15-9-23/h4-20,34-37H,1-3H3

InChIKey

OPDVNFNWYHXBIY-UHFFFAOYSA-N

Compound name

1-N,3-N,6-N-tris(4-methoxyphenyl)-9H-carbazole-1,3,6-trisulfonamide

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]+	723.12478	256.2
[M+Na]+	745.10672	259.6
[M-H]-	721.11022	264.6
[M+NH4]+	740.15132	253.8
[M+K]+	761.08066	254.8
[M+H-H2O]+	705.11476	247.9
[M+HCOO]-	767.11570	260.8
[M+CH3COO]-	781.13135	275.2
[M+Na-2H]-	743.09217	270.6
[M]+	722.11695	263.8
[M]-	722.11805	263.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

723.12478

256.2

[M+Na]+

745.10672

259.6

[M-H]-

721.11022

264.6

[M+NH4]+

740.15132

253.8

[M+K]+

761.08066

254.8

[M+H-H2O]+

705.11476

247.9

[M+HCOO]-

767.11570

260.8

[M+CH3COO]-

781.13135

275.2

[M+Na-2H]-

743.09217

270.6

[M]+

722.11695

263.8

[M]-

722.11805

263.8

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

Carbazole-1,3,6-trisulfonanisidide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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