CID 77105

25747-21-1

Structural Information

Molecular Formula
C19H14N4O6S
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3)O)C(=O)O
InChI
InChI=1S/C19H14N4O6S/c24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)
InChIKey
VVHOUPGUNISBKS-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3669
Patents

426.06342 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.07070 194.5
[M+Na]+ 449.05264 200.6
[M-H]- 425.05614 205.8
[M+NH4]+ 444.09724 203.2
[M+K]+ 465.02658 197.3
[M+H-H2O]+ 409.06068 183.8
[M+HCOO]- 471.06162 217.8
[M+CH3COO]- 485.07727 233.9
[M+Na-2H]- 447.03809 200.9
[M]+ 426.06287 198.7
[M]- 426.06397 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe