CID 117124

71393-87-8

Structural Information

Molecular Formula
C23H17N5O6S
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N)S(=O)(=O)O
InChI
InChI=1S/C23H17N5O6S/c24-20-8-9-21(18-12-16(35(32,33)34)6-7-17(18)20)28-26-14-3-1-13(2-4-14)25-27-15-5-10-22(29)19(11-15)23(30)31/h1-12,29H,24H2,(H,30,31)(H,32,33,34)
InChIKey
VCGCFSSUCZBXJS-UHFFFAOYSA-N
Compound name
5-[[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.08997 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.09725 209.2
[M+Na]+ 514.07919 215.2
[M-H]- 490.08269 220.5
[M+NH4]+ 509.12379 215.7
[M+K]+ 530.05313 211.7
[M+H-H2O]+ 474.08723 198.1
[M+HCOO]- 536.08817 230.8
[M+CH3COO]- 550.10382 251.5
[M+Na-2H]- 512.06464 216.5
[M]+ 491.08942 212.9
[M]- 491.09052 212.9
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.