CID 689157

2-(3-methylbenzamido)benzoic acid

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC1=CC(=CC=C1)C(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H13NO3/c1-10-5-4-6-11(9-10)14(17)16-13-8-3-2-7-12(13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey
KGPDYIRCCGMCOI-UHFFFAOYSA-N
Compound name
2-[(3-methylbenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 156.4
[M+Na]+ 278.07876 163.0
[M-H]- 254.08226 162.1
[M+NH4]+ 273.12336 172.1
[M+K]+ 294.05270 159.6
[M+H-H2O]+ 238.08680 149.0
[M+HCOO]- 300.08774 179.0
[M+CH3COO]- 314.10339 195.4
[M+Na-2H]- 276.06421 160.0
[M]+ 255.08899 155.6
[M]- 255.09009 155.6
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