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]+ 370.12853 182.1
[M+Na]+ 392.11047 187.8
[M-H]- 368.11397 190.3
[M+NH4]+ 387.15507 186.2
[M+K]+ 408.08441 189.3
[M+H-H2O]+ 352.11851 166.8
[M+HCOO]- 414.11945 200.6
[M+CH3COO]- 428.13510 219.8
[M+Na-2H]- 390.09592 180.8
[M]+ 369.12070 195.9
[M]- 369.12180 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.