CID 5278779

N-isobutyl-2-(2-methyl-4-oxo-azetidin-1-yl)-3-phenyl-propanamide

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CC1CC(=O)N1C(CC2=CC=CC=C2)C(=O)NCC(C)C
InChI
InChI=1S/C17H24N2O2/c1-12(2)11-18-17(21)15(19-13(3)9-16(19)20)10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,18,21)
InChIKey
RITPONXAZWHAFH-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-oxoazetidin-1-yl)-N-(2-methylpropyl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 174.5
[M+Na]+ 311.17300 177.0
[M-H]- 287.17650 178.7
[M+NH4]+ 306.21760 181.6
[M+K]+ 327.14694 177.8
[M+H-H2O]+ 271.18104 160.3
[M+HCOO]- 333.18198 191.8
[M+CH3COO]- 347.19763 210.2
[M+Na-2H]- 309.15845 172.8
[M]+ 288.18323 182.7
[M]- 288.18433 182.7
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.