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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	354.133576	179.9
[M+Na]+	376.115518	186.0
[M-H]-	352.119024	188.1
[M+NH4]+	371.160123	184.9
[M+K]+	392.089458	186.7
[M+H-H2O]+	336.123560	164.9
[M+HCOO]-	398.124501	198.2
[M+CH3COO]-	412.140151	217.7
[M+Na-2H]-	374.100966	178.5
[M]+	353.12575142	192.4
[M]-	353.12684858	192.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.