CID 32183

Phenylacetyl-d-phenylglycine

Structural Information

Molecular Formula
C16H15NO3
SMILES
C1=CC=C(C=C1)CC(=O)N(CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C16H15NO3/c18-15(11-13-7-3-1-4-8-13)17(12-16(19)20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)
InChIKey
SSYVARLGJPNCDL-UHFFFAOYSA-N
Compound name
2-(N-(2-phenylacetyl)anilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 161.5
[M+Na]+ 292.09442 165.9
[M-H]- 268.09792 167.7
[M+NH4]+ 287.13902 176.5
[M+K]+ 308.06836 163.6
[M+H-H2O]+ 252.10246 153.3
[M+HCOO]- 314.10340 184.3
[M+CH3COO]- 328.11905 199.3
[M+Na-2H]- 290.07987 165.3
[M]+ 269.10465 161.5
[M]- 269.10575 161.5
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

No patent data available for this compound.