CID 25113125

D-phenylalanyl-n-benzyl-l-prolinamide

Structural Information

Molecular Formula
C21H25N3O2
SMILES
C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C21H25N3O2/c22-18(14-16-8-3-1-4-9-16)21(26)24-13-7-12-19(24)20(25)23-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22H2,(H,23,25)/t18-,19+/m1/s1
InChIKey
MEPJWLFTTFHOQO-MOPGFXCFSA-N
Compound name
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-benzylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

351.19467 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 185.4
[M+Na]+ 374.18389 186.7
[M-H]- 350.18739 192.2
[M+NH4]+ 369.22849 196.7
[M+K]+ 390.15783 182.4
[M+H-H2O]+ 334.19193 175.4
[M+HCOO]- 396.19287 204.7
[M+CH3COO]- 410.20852 216.4
[M+Na-2H]- 372.16934 183.7
[M]+ 351.19412 180.2
[M]- 351.19522 180.2
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