CID 5278783

Chembl195616

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CC1CN(C1=O)C(CC2=CC=CC=C2)C(=O)NCC3CCCCC3
InChI
InChI=1S/C20H28N2O2/c1-15-14-22(20(15)24)18(12-16-8-4-2-5-9-16)19(23)21-13-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-18H,3,6-7,10-14H2,1H3,(H,21,23)
InChIKey
NYJQUNMIEORACL-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-2-(3-methyl-2-oxoazetidin-1-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.22238 180.7
[M+Na]+ 351.20432 180.6
[M-H]- 327.20782 186.5
[M+NH4]+ 346.24892 185.5
[M+K]+ 367.17826 180.3
[M+H-H2O]+ 311.21236 165.1
[M+HCOO]- 373.21330 195.2
[M+CH3COO]- 387.22895 215.1
[M+Na-2H]- 349.18977 178.6
[M]+ 328.21455 183.8
[M]- 328.21565 183.8
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.