CID 2966678

Oprea1_267681

Structural Information

Molecular Formula
C18H23N3O4
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C18H23N3O4/c1-12-9-15(21(24)25)7-8-16(12)19-18(23)13-10-17(22)20(11-13)14-5-3-2-4-6-14/h7-9,13-14H,2-6,10-11H2,1H3,(H,19,23)
InChIKey
UXRWWBCDJHOOPR-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.16885 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17613 181.0
[M+Na]+ 368.15807 182.6
[M-H]- 344.16157 188.3
[M+NH4]+ 363.20267 192.5
[M+K]+ 384.13201 175.1
[M+H-H2O]+ 328.16611 176.4
[M+HCOO]- 390.16705 199.2
[M+CH3COO]- 404.18270 207.7
[M+Na-2H]- 366.14352 180.6
[M]+ 345.16830 173.1
[M]- 345.16940 173.1
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.