CID 77423

Benzoic acid, 4-(2-(2-hydroxy-4,5-dimethylphenyl)diazenyl)-

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=CC(=C(C=C1C)O)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H14N2O3/c1-9-7-13(14(18)8-10(9)2)17-16-12-5-3-11(4-6-12)15(19)20/h3-8,18H,1-2H3,(H,19,20)
InChIKey
IRPMNRQJHGUWHK-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-4,5-dimethylphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1
Patents

270.10043 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 159.8
[M+Na]+ 293.08965 168.1
[M-H]- 269.09315 167.5
[M+NH4]+ 288.13425 175.9
[M+K]+ 309.06359 165.1
[M+H-H2O]+ 253.09769 151.9
[M+HCOO]- 315.09863 185.9
[M+CH3COO]- 329.11428 204.6
[M+Na-2H]- 291.07510 164.0
[M]+ 270.09988 161.6
[M]- 270.10098 161.6
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