CID 469505

(2-oxo-1,4-diphenyl-azetidin-3-yl) acetate

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-12(19)21-16-15(13-8-4-2-5-9-13)18(17(16)20)14-10-6-3-7-11-14/h2-11,15-16H,1H3
InChIKey
MDXIDWJLPLQQTB-UHFFFAOYSA-N
Compound name
(2-oxo-1,4-diphenylazetidin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 160.3
[M+Na]+ 304.09442 166.8
[M-H]- 280.09792 168.5
[M+NH4]+ 299.13902 168.2
[M+K]+ 320.06836 166.6
[M+H-H2O]+ 264.10246 146.1
[M+HCOO]- 326.10340 180.5
[M+CH3COO]- 340.11905 202.9
[M+Na-2H]- 302.07987 163.2
[M]+ 281.10465 169.8
[M]- 281.10575 169.8
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.