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 167.0
[M+Na]+ 306.11007 178.1
[M+NH4]+ 301.15467 173.6
[M+K]+ 322.08401 172.2
[M-H]- 282.11357 170.1
[M+Na-2H]- 304.09552 174.4
[M]+ 283.12030 169.2
[M]- 283.12140 169.2
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