CID 5278761

Chembl196888

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CCCCNC(=O)C(C1=CC=CC=C1)N2C(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C21H24N2O2/c1-2-3-14-22-21(25)20(17-12-8-5-9-13-17)23-18(15-19(23)24)16-10-6-4-7-11-16/h4-13,18,20H,2-3,14-15H2,1H3,(H,22,25)
InChIKey
IWQRUGAZWGKBCY-UHFFFAOYSA-N
Compound name
N-butyl-2-(2-oxo-4-phenylazetidin-1-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 183.0
[M+Na]+ 359.17300 185.5
[M-H]- 335.17650 189.8
[M+NH4]+ 354.21760 187.8
[M+K]+ 375.14694 184.3
[M+H-H2O]+ 319.18104 167.1
[M+HCOO]- 381.18198 201.4
[M+CH3COO]- 395.19763 216.9
[M+Na-2H]- 357.15845 183.2
[M]+ 336.18323 190.6
[M]- 336.18433 190.6
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.