CID 5278789

Chembl196718

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CC1CC(=O)N1C(C2=CC=CC=C2)C(=O)NCC3CCCCC3
InChI
InChI=1S/C19H26N2O2/c1-14-12-17(22)21(14)18(16-10-6-3-7-11-16)19(23)20-13-15-8-4-2-5-9-15/h3,6-7,10-11,14-15,18H,2,4-5,8-9,12-13H2,1H3,(H,20,23)
InChIKey
GPWMNPUBCFSYRL-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-2-(2-methyl-4-oxoazetidin-1-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 176.2
[M+Na]+ 337.18865 176.5
[M-H]- 313.19215 182.2
[M+NH4]+ 332.23325 181.6
[M+K]+ 353.16259 176.5
[M+H-H2O]+ 297.19669 160.8
[M+HCOO]- 359.19763 191.1
[M+CH3COO]- 373.21328 212.3
[M+Na-2H]- 335.17410 174.7
[M]+ 314.19888 179.0
[M]- 314.19998 179.0
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.