CID 262943

75446-59-2

Structural Information

Molecular Formula
C15H13NO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)O
InChI
InChI=1S/C15H13NO3/c17-14(18)10-16-15(19)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,19)(H,17,18)
InChIKey
MYJXSDFBYVYUCD-UHFFFAOYSA-N
Compound name
2-[(4-phenylbenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

255.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 158.0
[M+Na]+ 278.07876 170.3
[M+NH4]+ 273.12336 165.1
[M+K]+ 294.05270 164.2
[M-H]- 254.08226 161.5
[M+Na-2H]- 276.06421 166.0
[M]+ 255.08899 160.5
[M]- 255.09009 160.5
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