CID 47590

Pp-l-phenylalanine potassium

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H19NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,20)(H,21,22)/t16-/m0/s1
InChIKey
PKOVGZQJPDDEJO-INIZCTEOSA-N
Compound name
(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

92
Patents

297.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 171.5
[M+Na]+ 320.12572 182.4
[M+NH4]+ 315.17032 177.9
[M+K]+ 336.09966 176.2
[M-H]- 296.12922 174.5
[M+Na-2H]- 318.11117 178.6
[M]+ 297.13595 173.6
[M]- 297.13705 173.6
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

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