CID 16077257

1-cyclohexyl-n-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC1=CC(=CC(=C1)NC(=O)C2CC(=O)N(C2)C3CCCCC3)C
InChI
InChI=1S/C19H26N2O2/c1-13-8-14(2)10-16(9-13)20-19(23)15-11-18(22)21(12-15)17-6-4-3-5-7-17/h8-10,15,17H,3-7,11-12H2,1-2H3,(H,20,23)
InChIKey
OTQLBFIGSRPOTK-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

314.19943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 177.2
[M+Na]+ 337.18865 180.6
[M-H]- 313.19215 184.6
[M+NH4]+ 332.23325 191.5
[M+K]+ 353.16259 176.4
[M+H-H2O]+ 297.19669 168.3
[M+HCOO]- 359.19763 194.3
[M+CH3COO]- 373.21328 209.5
[M+Na-2H]- 335.17410 173.9
[M]+ 314.19888 171.1
[M]- 314.19998 171.1
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.