CID 7408102

H-gly-pro-bna

Structural Information

Molecular Formula
C17H19N3O2
SMILES
C1C[C@H](N(C1)C(=O)CN)C(=O)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H19N3O2/c18-11-16(21)20-9-3-6-15(20)17(22)19-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,15H,3,6,9,11,18H2,(H,19,22)/t15-/m0/s1
InChIKey
WKQUUNDBFODDFP-HNNXBMFYSA-N
Compound name
(2S)-1-(2-aminoacetyl)-N-naphthalen-2-ylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

297.14774 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.155016 168.9
[M+Na]+ 320.136958 173.3
[M-H]- 296.140464 174.1
[M+NH4]+ 315.181563 184.2
[M+K]+ 336.110898 169.2
[M+H-H2O]+ 280.145000 160.4
[M+HCOO]- 342.145941 188.9
[M+CH3COO]- 356.161591 206.5
[M+Na-2H]- 318.122406 170.3
[M]+ 297.14719142 164.7
[M]- 297.14828858 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

literature stripe

Patent stripe

patents stripe