CID 165367

Fast acid violet 10b

Structural Information

Molecular Formula
C32H36N3O6S2
SMILES
CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)C(=C3C=CC(=[N+](C)C)C=C3)C4=CC=C(C=C4)N(C)C)S(=O)(=O)O
InChI
InChI=1S/C32H35N3O6S2/c1-6-35(22-23-8-7-9-29(20-23)42(36,37)38)28-18-19-30(31(21-28)43(39,40)41)32(24-10-14-26(15-11-24)33(2)3)25-12-16-27(17-13-25)34(4)5/h7-21H,6,22H2,1-5H3,(H-,36,37,38,39,40,41)/p+1
InChIKey
CXNNGVUGAQWNGE-UHFFFAOYSA-O
Compound name
[4-[[4-(dimethylamino)phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-sulfophenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

622.2045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.21178 231.9
[M+Na]+ 645.19372 242.5
[M+NH4]+ 640.23832 235.9
[M+K]+ 661.16766 236.1
[M-H]- 621.19722 239.2
[M+Na-2H]- 643.17917 242.3
[M]+ 622.20395 236.5
[M]- 622.20505 236.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe