CID 3058942

5-acetamido-3-biphenylylacetic acid

Structural Information

Molecular Formula
C16H15NO3
SMILES
CC(=O)NC1=CC(=CC(=C1)C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C16H15NO3/c1-11(18)17-15-8-12(9-16(19)20)7-14(10-15)13-5-3-2-4-6-13/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKey
HYUJEAPUCMAAOZ-UHFFFAOYSA-N
Compound name
2-(3-acetamido-5-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

269.1052 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 162.2
[M+Na]+ 292.09442 174.7
[M+NH4]+ 287.13902 169.2
[M+K]+ 308.06836 168.5
[M-H]- 268.09792 165.7
[M+Na-2H]- 290.07987 169.7
[M]+ 269.10465 164.8
[M]- 269.10575 164.8
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