CID 3050864

2-(alpha-ethyl-5,5-dimethyl-2-oxo-1-pyrrolidineacetamido)-n-propylacetamide

Structural Information

Molecular Formula
C15H27N3O3
SMILES
CCCNC(=O)CNC(=O)C(CC)N1C(=O)CCC1(C)C
InChI
InChI=1S/C15H27N3O3/c1-5-9-16-12(19)10-17-14(21)11(6-2)18-13(20)7-8-15(18,3)4/h11H,5-10H2,1-4H3,(H,16,19)(H,17,21)
InChIKey
KHAOPDFAOXLFSA-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.20523 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21251 172.1
[M+Na]+ 320.19445 175.8
[M-H]- 296.19795 173.6
[M+NH4]+ 315.23905 189.2
[M+K]+ 336.16839 174.6
[M+H-H2O]+ 280.20249 165.9
[M+HCOO]- 342.20343 191.5
[M+CH3COO]- 356.21908 209.5
[M+Na-2H]- 318.17990 170.5
[M]+ 297.20468 172.2
[M]- 297.20578 172.2
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

patents stripe