CID 6920596

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

Structural Information

Molecular Formula
C18H23ClN2O2
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C18H23ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKey
RJWMDETWDDESBP-ZDUSSCGKSA-N
Compound name
(3S)-N-(5-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]+ 335.15208 181.2
[M+Na]+ 357.13402 185.9
[M-H]- 333.13752 188.5
[M+NH4]+ 352.17862 195.5
[M+K]+ 373.10796 180.1
[M+H-H2O]+ 317.14206 172.8
[M+HCOO]- 379.14300 194.0
[M+CH3COO]- 393.15865 210.1
[M+Na-2H]- 355.11947 177.8
[M]+ 334.14425 177.0
[M]- 334.14535 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.