CID 2855970

N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C19H24N2O3/c1-13(22)14-7-9-16(10-8-14)20-19(24)15-11-18(23)21(12-15)17-5-3-2-4-6-17/h7-10,15,17H,2-6,11-12H2,1H3,(H,20,24)
InChIKey
OFMBDHFBVSMEJE-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.17868 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 178.8
[M+Na]+ 351.16790 181.1
[M-H]- 327.17140 185.9
[M+NH4]+ 346.21250 191.8
[M+K]+ 367.14184 177.5
[M+H-H2O]+ 311.17594 169.7
[M+HCOO]- 373.17688 195.2
[M+CH3COO]- 387.19253 210.6
[M+Na-2H]- 349.15335 175.2
[M]+ 328.17813 172.4
[M]- 328.17923 172.4
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.