CID 5052034

3-(benzoylamino)-4-methylbenzoic acid

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H13NO3/c1-10-7-8-12(15(18)19)9-13(10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey
CYXPYFDVSXZFNX-UHFFFAOYSA-N
Compound name
3-benzamido-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 157.7
[M+Na]+ 278.07876 170.4
[M+NH4]+ 273.12336 164.8
[M+K]+ 294.05270 164.5
[M-H]- 254.08226 161.2
[M+Na-2H]- 276.06421 165.5
[M]+ 255.08899 160.3
[M]- 255.09009 160.3
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