CID 25113126

1-[(2r)-2-aminobutanoyl]-n-(3-chlorobenzyl)-l-prolinamide

Structural Information

Molecular Formula
C16H22ClN3O2
SMILES
CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCC2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C16H22ClN3O2/c1-2-13(18)16(22)20-8-4-7-14(20)15(21)19-10-11-5-3-6-12(17)9-11/h3,5-6,9,13-14H,2,4,7-8,10,18H2,1H3,(H,19,21)/t13-,14+/m1/s1
InChIKey
OTYYXGRJXJFTCD-KGLIPLIRSA-N
Compound name
(2S)-1-[(2R)-2-aminobutanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.14005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14733 178.5
[M+Na]+ 346.12927 182.6
[M-H]- 322.13277 182.7
[M+NH4]+ 341.17387 192.8
[M+K]+ 362.10321 178.0
[M+H-H2O]+ 306.13731 170.8
[M+HCOO]- 368.13825 193.5
[M+CH3COO]- 382.15390 210.4
[M+Na-2H]- 344.11472 175.5
[M]+ 323.13950 176.7
[M]- 323.14060 176.7
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

No patent data available for this compound.