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

0
Patents

286.09537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 164.2
[M+Na]+ 309.08459 171.0
[M-H]- 285.08809 168.6
[M+NH4]+ 304.12919 177.6
[M+K]+ 325.05853 167.5
[M+H-H2O]+ 269.09263 156.7
[M+HCOO]- 331.09357 185.7
[M+CH3COO]- 345.10922 202.9
[M+Na-2H]- 307.07004 165.2
[M]+ 286.09482 162.1
[M]- 286.09592 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