CID 5278764

Chembl426647

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC(C)CNC(=O)C(CC1=CC=CC=C1)N2CCC2=O
InChI
InChI=1S/C16H22N2O2/c1-12(2)11-17-16(20)14(18-9-8-15(18)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,20)
InChIKey
RFUKEJZLVREWAB-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-2-(2-oxoazetidin-1-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 169.6
[M+Na]+ 297.15734 171.7
[M-H]- 273.16084 173.6
[M+NH4]+ 292.20194 177.0
[M+K]+ 313.13128 172.7
[M+H-H2O]+ 257.16538 155.3
[M+HCOO]- 319.16632 187.3
[M+CH3COO]- 333.18197 206.1
[M+Na-2H]- 295.14279 169.2
[M]+ 274.16757 177.1
[M]- 274.16867 177.1
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.