PubChemLite - C.i. direct violet 1 (C32H24N6O8S2)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)O)N

InChI

InChI=1S/C32H24N6O8S2/c33-25-11-5-19-13-23(47(41,42)43)15-27(39)29(19)31(25)37-35-21-7-1-17(2-8-21)18-3-9-22(10-4-18)36-38-32-26(34)12-6-20-14-24(48(44,45)46)16-28(40)30(20)32/h1-16,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)

InChIKey

MPTZYMIJXLJHHT-UHFFFAOYSA-N

Compound name

6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid

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]+	685.11698	258.5
[M+Na]+	707.09892	271.8
[M-H]-	683.10242	261.0
[M+NH4]+	702.14352	265.3
[M+K]+	723.07286	261.9
[M+H-H2O]+	667.10696	242.8
[M+HCOO]-	729.10790	266.3
[M+CH3COO]-	743.12355	269.3
[M+Na-2H]-	705.08437	284.9
[M]+	684.10915	301.5
[M]-	684.11025	301.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

685.11698

258.5

[M+Na]+

707.09892

271.8

[M-H]-

683.10242

261.0

[M+NH4]+

702.14352

265.3

[M+K]+

723.07286

261.9

[M+H-H2O]+

667.10696

242.8

[M+HCOO]-

729.10790

266.3

[M+CH3COO]-

743.12355

269.3

[M+Na-2H]-

705.08437

284.9

[M]+

684.10915

301.5

[M]-

684.11025

301.5

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

C.i. direct violet 1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe