CID 6351946

L-prolyl-l-phenylalanine

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1
InChIKey
IWIANZLCJVYEFX-RYUDHWBXSA-N
Compound name
(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3466
Patents

262.13174 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 161.3
[M+Na]+ 285.120958 163.4
[M-H]- 261.124464 162.9
[M+NH4]+ 280.165563 175.5
[M+K]+ 301.094898 160.3
[M+H-H2O]+ 245.129000 153.4
[M+HCOO]- 307.129941 178.3
[M+CH3COO]- 321.145591 191.7
[M+Na-2H]- 283.106406 160.9
[M]+ 262.13119142 155.2
[M]- 262.13228858 155.2
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