CID 5278786

Chembl383357

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CCCCNC(=O)C(CC1=CC=CC=C1)N2CC(C2=O)C
InChI
InChI=1S/C17H24N2O2/c1-3-4-10-18-16(20)15(19-12-13(2)17(19)21)11-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12H2,1-2H3,(H,18,20)
InChIKey
KPSRRLCRGYNAMB-UHFFFAOYSA-N
Compound name
N-butyl-2-(3-methyl-2-oxoazetidin-1-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 173.0
[M+Na]+ 311.17300 175.8
[M-H]- 287.17650 177.1
[M+NH4]+ 306.21760 180.2
[M+K]+ 327.14694 176.1
[M+H-H2O]+ 271.18104 158.7
[M+HCOO]- 333.18198 191.3
[M+CH3COO]- 347.19763 209.3
[M+Na-2H]- 309.15845 172.6
[M]+ 288.18323 181.8
[M]- 288.18433 181.8
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.