CID 469506

[2-(1,3-benzodioxol-5-yl)-4-oxo-1-phenyl-azetidin-3-yl] acetate

Structural Information

Molecular Formula
C18H15NO5
SMILES
CC(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H15NO5/c1-11(20)24-17-16(12-7-8-14-15(9-12)23-10-22-14)19(18(17)21)13-5-3-2-4-6-13/h2-9,16-17H,10H2,1H3
InChIKey
VGYCQGRETMVXKO-UHFFFAOYSA-N
Compound name
[2-(1,3-benzodioxol-5-yl)-4-oxo-1-phenylazetidin-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09503 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 164.3
[M+Na]+ 348.08425 170.9
[M-H]- 324.08775 174.9
[M+NH4]+ 343.12885 170.6
[M+K]+ 364.05819 173.6
[M+H-H2O]+ 308.09229 151.5
[M+HCOO]- 370.09323 181.8
[M+CH3COO]- 384.10888 209.8
[M+Na-2H]- 346.06970 167.0
[M]+ 325.09448 176.7
[M]- 325.09558 176.7
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.