CID 43452687

3-[methyl(phenyl)carbamoyl]benzoic acid

Structural Information

Molecular Formula
C15H13NO3
SMILES
CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)C(=O)O
InChI
InChI=1S/C15H13NO3/c1-16(13-8-3-2-4-9-13)14(17)11-6-5-7-12(10-11)15(18)19/h2-10H,1H3,(H,18,19)
InChIKey
WATFUQPNPJTGTB-UHFFFAOYSA-N
Compound name
3-[methyl(phenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 157.1
[M+Na]+ 278.07876 169.5
[M+NH4]+ 273.12336 164.4
[M+K]+ 294.05270 164.0
[M-H]- 254.08226 160.9
[M+Na-2H]- 276.06421 165.4
[M]+ 255.08899 159.8
[M]- 255.09009 159.8
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

No patent data available for this compound.