CID 3854465

16931-47-8

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H13NO3/c1-16(11-7-3-2-4-8-11)14(17)12-9-5-6-10-13(12)15(18)19/h2-10H,1H3,(H,18,19)

InChIKey

VBCNWIPFKYOODC-UHFFFAOYSA-N

Compound name

2-[methyl(phenyl)carbamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.08954 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.09682	156.4
[M+Na]+	278.07876	162.2
[M-H]-	254.08226	163.2
[M+NH4]+	273.12336	172.3
[M+K]+	294.05270	160.1
[M+H-H2O]+	238.08680	148.6
[M+HCOO]-	300.08774	179.5
[M+CH3COO]-	314.10339	197.6
[M+Na-2H]-	276.06421	160.0
[M]+	255.08899	156.4
[M]-	255.09009	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe