CID 136058972

Acid black 234

Structural Information

Molecular Formula
C34H28N10O9S3
SMILES
C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O
InChI
InChI=1S/C34H28N10O9S3/c35-20-6-15-27(26(36)18-20)41-38-23-11-13-25(14-12-23)54(46,47)44-24-9-7-22(8-10-24)40-42-32-28(55(48,49)50)16-19-17-29(56(51,52)53)33(34(45)30(19)31(32)37)43-39-21-4-2-1-3-5-21/h1-18,44-45H,35-37H2,(H,48,49,50)(H,51,52,53)
InChIKey
ZCJMFVUTNJRMFR-UHFFFAOYSA-N
Compound name
4-amino-3-[[4-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfonylamino]phenyl]diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

816.1203 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.12758 262.2
[M+Na]+ 839.10952 269.4
[M+NH4]+ 834.15412 268.0
[M+K]+ 855.08346 264.4
[M-H]- 815.11302 262.5
[M+Na-2H]- 837.09497 287.3
[M]+ 816.11975 266.5
[M]- 816.12085 266.5
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

No patent data available for this compound.