CID 494546

3-chloro-1,4-bis(4-methoxyphenyl)azetidin-2-one

Structural Information

Molecular Formula
C17H16ClNO3
SMILES
COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)OC)Cl
InChI
InChI=1S/C17H16ClNO3/c1-21-13-7-3-11(4-8-13)16-15(18)17(20)19(16)12-5-9-14(22-2)10-6-12/h3-10,15-16H,1-2H3
InChIKey
MAKSLGJOEWEGAR-UHFFFAOYSA-N
Compound name
3-chloro-1,4-bis(4-methoxyphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08188 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08916 163.7
[M+Na]+ 340.07110 172.9
[M-H]- 316.07460 172.1
[M+NH4]+ 335.11570 171.8
[M+K]+ 356.04504 171.0
[M+H-H2O]+ 300.07914 150.3
[M+HCOO]- 362.08008 180.3
[M+CH3COO]- 376.09573 209.3
[M+Na-2H]- 338.05655 166.2
[M]+ 317.08133 177.5
[M]- 317.08243 177.5
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.