CID 469511

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

Structural Information

Molecular Formula
C20H19NO5
SMILES
CC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)C(=O)OC)OC(=O)C
InChI
InChI=1S/C20H19NO5/c1-12-4-6-14(7-5-12)17-18(26-13(2)22)19(23)21(17)16-10-8-15(9-11-16)20(24)25-3/h4-11,17-18H,1-3H3
InChIKey
WOGYGIOLYNHSDZ-UHFFFAOYSA-N
Compound name
methyl 4-[3-acetyloxy-2-(4-methylphenyl)-4-oxoazetidin-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 179.9
[M+Na]+ 376.11552 186.0
[M-H]- 352.11902 188.1
[M+NH4]+ 371.16012 184.9
[M+K]+ 392.08946 186.7
[M+H-H2O]+ 336.12356 164.9
[M+HCOO]- 398.12450 198.2
[M+CH3COO]- 412.14015 217.7
[M+Na-2H]- 374.10097 178.5
[M]+ 353.12575 192.4
[M]- 353.12685 192.4
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.