CID 5278787

Chembl196458

Structural Information

Molecular Formula
C18H24N2O2
SMILES
C1CCC(CC1)CNC(=O)C(C2=CC=CC=C2)N3CCC3=O
InChI
InChI=1S/C18H24N2O2/c21-16-11-12-20(16)17(15-9-5-2-6-10-15)18(22)19-13-14-7-3-1-4-8-14/h2,5-6,9-10,14,17H,1,3-4,7-8,11-13H2,(H,19,22)
InChIKey
KBZKKDHVDZWVFI-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-2-(2-oxoazetidin-1-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 170.9
[M+Na]+ 323.17300 170.8
[M-H]- 299.17650 176.8
[M+NH4]+ 318.21760 176.6
[M+K]+ 339.14694 170.9
[M+H-H2O]+ 283.18104 155.5
[M+HCOO]- 345.18198 186.2
[M+CH3COO]- 359.19763 208.2
[M+Na-2H]- 321.15845 170.7
[M]+ 300.18323 173.0
[M]- 300.18433 173.0
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.