CID 22640

5-(4-aminobenzamido)-2,3-cresotic acid

Structural Information

Molecular Formula
C15H14N2O4
SMILES
CC1=CC(=CC(=C1O)C(=O)O)NC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H14N2O4/c1-8-6-11(7-12(13(8)18)15(20)21)17-14(19)9-2-4-10(16)5-3-9/h2-7,18H,16H2,1H3,(H,17,19)(H,20,21)
InChIKey
AOMFEMQHOBBHFK-UHFFFAOYSA-N
Compound name
5-[(4-aminobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

286.09537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 164.2
[M+Na]+ 309.084588 171.0
[M-H]- 285.088094 168.6
[M+NH4]+ 304.129193 177.6
[M+K]+ 325.058528 167.5
[M+H-H2O]+ 269.092630 156.7
[M+HCOO]- 331.093571 185.7
[M+CH3COO]- 345.109221 202.9
[M+Na-2H]- 307.070036 165.2
[M]+ 286.09482142 162.1
[M]- 286.09591858 162.1
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