CID 2883369

1-cyclohexyl-n-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H21N3O4
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H21N3O4/c21-16-9-12(11-19(16)14-6-2-1-3-7-14)17(22)18-13-5-4-8-15(10-13)20(23)24/h4-5,8,10,12,14H,1-3,6-7,9,11H2,(H,18,22)
InChIKey
FISAEQLGNNVXOB-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

331.1532 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 176.2
[M+Na]+ 354.14242 177.4
[M-H]- 330.14592 183.3
[M+NH4]+ 349.18702 188.0
[M+K]+ 370.11636 170.1
[M+H-H2O]+ 314.15046 171.5
[M+HCOO]- 376.15140 194.8
[M+CH3COO]- 390.16705 203.5
[M+Na-2H]- 352.12787 177.0
[M]+ 331.15265 167.6
[M]- 331.15375 167.6
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.