CID 47588

Pp-d-phenylglycine sodium

Structural Information

Molecular Formula
C17H17NO3
SMILES
C1=CC=C(C=C1)CCC(=O)NC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H17NO3/c19-15(12-11-13-7-3-1-4-8-13)18-16(17(20)21)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,18,19)(H,20,21)
InChIKey
GCQJVZVCJVKFNV-UHFFFAOYSA-N
Compound name
2-phenyl-2-(3-phenylpropanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

283.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 166.3
[M+Na]+ 306.11007 169.7
[M-H]- 282.11357 170.8
[M+NH4]+ 301.15467 180.0
[M+K]+ 322.08401 166.3
[M+H-H2O]+ 266.11811 158.1
[M+HCOO]- 328.11905 187.2
[M+CH3COO]- 342.13470 199.9
[M+Na-2H]- 304.09552 169.0
[M]+ 283.12030 164.7
[M]- 283.12140 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe