CID 2986544

N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C18H23ClN2O3
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C18H23ClN2O3/c1-24-16-8-7-13(19)10-15(16)20-18(23)12-9-17(22)21(11-12)14-5-3-2-4-6-14/h7-8,10,12,14H,2-6,9,11H2,1H3,(H,20,23)
InChIKey
GUUBBZUBDARKET-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

350.1397 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14698 183.5
[M+Na]+ 373.12892 188.0
[M-H]- 349.13242 190.8
[M+NH4]+ 368.17352 197.0
[M+K]+ 389.10286 182.9
[M+H-H2O]+ 333.13696 175.0
[M+HCOO]- 395.13790 196.4
[M+CH3COO]- 409.15355 212.3
[M+Na-2H]- 371.11437 180.3
[M]+ 350.13915 180.8
[M]- 350.14025 180.8
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

No patent data available for this compound.