CID 103146

67712-20-3

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CC1=CC(=CC(=C1O)C(=O)O)N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C14H13N3O3/c1-8-6-11(7-12(13(8)18)14(19)20)17-16-10-4-2-9(15)3-5-10/h2-7,18H,15H2,1H3,(H,19,20)
InChIKey
YTIOMBPRIHISAH-UHFFFAOYSA-N
Compound name
5-[(4-aminophenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 159.8
[M+Na]+ 294.08492 167.6
[M-H]- 270.08842 167.1
[M+NH4]+ 289.12952 175.1
[M+K]+ 310.05886 164.6
[M+H-H2O]+ 254.09296 151.7
[M+HCOO]- 316.09390 186.6
[M+CH3COO]- 330.10955 206.5
[M+Na-2H]- 292.07037 163.9
[M]+ 271.09515 159.5
[M]- 271.09625 159.5
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

patents stripe