CID 364700

Nsc631352

Structural Information

Molecular Formula
C16H11N3O6S
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC=C(C=C3)C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C16H11N3O6S/c20-15-12(19-18-10-5-3-9(4-6-10)16(21)22)8-13(26(23,24)25)11-2-1-7-17-14(11)15/h1-8,20H,(H,21,22)(H,23,24,25)
InChIKey
LUWSVZRGAVETOB-UHFFFAOYSA-N
Compound name
4-[(8-hydroxy-5-sulfoquinolin-7-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.03687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.04415 179.5
[M+Na]+ 396.02609 187.6
[M-H]- 372.02959 185.0
[M+NH4]+ 391.07069 189.8
[M+K]+ 412.00003 183.5
[M+H-H2O]+ 356.03413 171.0
[M+HCOO]- 418.03507 196.0
[M+CH3COO]- 432.05072 215.7
[M+Na-2H]- 394.01154 186.3
[M]+ 373.03632 183.5
[M]- 373.03742 183.5
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.