CID 262943

2-[(4-phenylphenyl)formamido]acetic acid

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

53
Patents

255.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.096816 156.7
[M+Na]+ 278.078758 162.3
[M-H]- 254.082264 162.0
[M+NH4]+ 273.123363 172.0
[M+K]+ 294.052698 158.8
[M+H-H2O]+ 238.086800 149.0
[M+HCOO]- 300.087741 179.3
[M+CH3COO]- 314.103391 194.2
[M+Na-2H]- 276.064206 161.0
[M]+ 255.08899142 155.5
[M]- 255.09008858 155.5
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