CID 3149415

1-cyclohexyl-n-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3CCCCC3
InChI
InChI=1S/C19H25N3O3/c1-13(23)20-15-7-9-16(10-8-15)21-19(25)14-11-18(24)22(12-14)17-5-3-2-4-6-17/h7-10,14,17H,2-6,11-12H2,1H3,(H,20,23)(H,21,25)
InChIKey
AWLBMJCZDSEMQZ-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

343.1896 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 181.7
[M+Na]+ 366.17882 183.2
[M-H]- 342.18232 188.8
[M+NH4]+ 361.22342 193.9
[M+K]+ 382.15276 179.7
[M+H-H2O]+ 326.18686 172.3
[M+HCOO]- 388.18780 199.3
[M+CH3COO]- 402.20345 215.2
[M+Na-2H]- 364.16427 179.0
[M]+ 343.18905 174.7
[M]- 343.19015 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.