CID 40636608

(3s)-n-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C18H23ClN2O2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C18H23ClN2O2/c1-12-15(19)8-5-9-16(12)20-18(23)13-10-17(22)21(11-13)14-6-3-2-4-7-14/h5,8-9,13-14H,2-4,6-7,10-11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKey
NJNMAZNXKKBTPS-ZDUSSCGKSA-N
Compound name
(3S)-N-(3-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1448 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.152076 181.2
[M+Na]+ 357.134018 185.9
[M-H]- 333.137524 188.5
[M+NH4]+ 352.178623 195.5
[M+K]+ 373.107958 180.1
[M+H-H2O]+ 317.142060 172.8
[M+HCOO]- 379.143001 194.0
[M+CH3COO]- 393.158651 210.1
[M+Na-2H]- 355.119466 177.8
[M]+ 334.14425142 177.0
[M]- 334.14534858 177.0
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

No patent data available for this compound.