CID 4422109

29670-63-1

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO3/c17-14(12-9-5-2-6-10-12)16-13(15(18)19)11-7-3-1-4-8-11/h1-10,13H,(H,16,17)(H,18,19)

InChIKey

ACDLFRQZDTZESK-UHFFFAOYSA-N

Compound name

2-benzamido-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 82
Patents: 255.08954 Da
Monoisotopic Mass: 2.5
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	157.1
[M+Na]+	278.07876	161.4
[M-H]-	254.08226	162.0
[M+NH4]+	273.12336	171.9
[M+K]+	294.05270	158.5
[M+H-H2O]+	238.08680	149.3
[M+HCOO]-	300.08774	178.7
[M+CH3COO]-	314.10339	193.9
[M+Na-2H]-	276.06421	160.9
[M]+	255.08899	154.8
[M]-	255.09009	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe