CID 42615253

N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-l-prolinamide

Structural Information

Molecular Formula
C18H25ClN2O2
SMILES
CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCC2=CC(=CC=C2)Cl
InChI
InChI=1S/C18H25ClN2O2/c1-13(2)8-9-17(22)21-10-4-7-16(21)18(23)20-12-14-5-3-6-15(19)11-14/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKey
PQUULPKGCNPPBX-INIZCTEOSA-N
Compound name
(2S)-N-[(3-chlorophenyl)methyl]-1-(4-methylpentanoyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

336.16046 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16774 183.3
[M+Na]+ 359.14968 187.5
[M-H]- 335.15318 187.6
[M+NH4]+ 354.19428 197.7
[M+K]+ 375.12362 182.6
[M+H-H2O]+ 319.15772 175.5
[M+HCOO]- 381.15866 197.2
[M+CH3COO]- 395.17431 211.7
[M+Na-2H]- 357.13513 179.7
[M]+ 336.15991 183.8
[M]- 336.16101 183.8
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