CID 4422109

2-benzamido-2-phenylacetic acid

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 158.1
[M+Na]+ 278.07876 169.6
[M+NH4]+ 273.12336 165.0
[M+K]+ 294.05270 164.1
[M-H]- 254.08226 161.2
[M+Na-2H]- 276.06421 165.9
[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

literature stripe

Patent stripe

patents stripe