CID 469509

Methyl 4-[3-acetoxy-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]benzoate

Structural Information

Molecular Formula
C20H19NO6
SMILES
CC(=O)OC1C(N(C1=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H19NO6/c1-12(22)27-18-17(13-6-10-16(25-2)11-7-13)21(19(18)23)15-8-4-14(5-9-15)20(24)26-3/h4-11,17-18H,1-3H3
InChIKey
QEJWXWIVFJPSJT-UHFFFAOYSA-N
Compound name
methyl 4-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.128526 182.1
[M+Na]+ 392.110468 187.8
[M-H]- 368.113974 190.3
[M+NH4]+ 387.155073 186.2
[M+K]+ 408.084408 189.3
[M+H-H2O]+ 352.118510 166.8
[M+HCOO]- 414.119451 200.6
[M+CH3COO]- 428.135101 219.8
[M+Na-2H]- 390.095916 180.8
[M]+ 369.12070142 195.9
[M]- 369.12179858 195.9
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.