CID 80732

6369-32-0

Structural Information

Molecular Formula
C23H17N3O6S
SMILES
C1=CC=C(C=C1)NC2=CC3=C(C(=C(C=C3C=C2)S(=O)(=O)O)N=NC4=CC=CC=C4C(=O)O)O
InChI
InChI=1S/C23H17N3O6S/c27-22-18-13-16(24-15-6-2-1-3-7-15)11-10-14(18)12-20(33(30,31)32)21(22)26-25-19-9-5-4-8-17(19)23(28)29/h1-13,24,27H,(H,28,29)(H,30,31,32)
InChIKey
WAMNFLXJMSWFES-UHFFFAOYSA-N
Compound name
2-[(7-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

463.0838 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.09108 202.8
[M+Na]+ 486.07302 208.7
[M-H]- 462.07652 211.9
[M+NH4]+ 481.11762 209.9
[M+K]+ 502.04696 204.1
[M+H-H2O]+ 446.08106 192.8
[M+HCOO]- 508.08200 220.3
[M+CH3COO]- 522.09765 236.9
[M+Na-2H]- 484.05847 209.3
[M]+ 463.08325 205.7
[M]- 463.08435 205.7
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.