CID 25113127

D-leucyl-n-(3-chlorobenzyl)-l-prolinamide

Structural Information

Molecular Formula
C18H26ClN3O2
SMILES
CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C18H26ClN3O2/c1-12(2)9-15(20)18(24)22-8-4-7-16(22)17(23)21-11-13-5-3-6-14(19)10-13/h3,5-6,10,12,15-16H,4,7-9,11,20H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKey
FHVBVJXZKNCSLP-CVEARBPZSA-N
Compound name
(2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.17136 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17864 187.4
[M+Na]+ 374.16058 190.4
[M-H]- 350.16408 191.4
[M+NH4]+ 369.20518 200.5
[M+K]+ 390.13452 186.0
[M+H-H2O]+ 334.16862 179.6
[M+HCOO]- 396.16956 200.8
[M+CH3COO]- 410.18521 217.2
[M+Na-2H]- 372.14603 182.3
[M]+ 351.17081 185.8
[M]- 351.17191 185.8
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