CID 3078023

2-(3-chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)benzoic acid

Structural Information

Molecular Formula

C₁₇H₁₄ClNO₄

SMILES

COC1=CC=CC=C1C2C(C(=O)N2C3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C17H14ClNO4/c1-23-13-9-5-3-7-11(13)15-14(18)16(20)19(15)12-8-4-2-6-10(12)17(21)22/h2-9,14-15H,1H3,(H,21,22)

InChIKey

ASZAEPHBOWOTBP-UHFFFAOYSA-N

Compound name

2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.06113 Da
Monoisotopic Mass: 2.7
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]+	332.068406	167.2
[M+Na]+	354.050348	175.5
[M-H]-	330.053854	174.4
[M+NH4]+	349.094953	173.7
[M+K]+	370.024288	173.6
[M+H-H2O]+	314.058390	154.0
[M+HCOO]-	376.059331	181.6
[M+CH3COO]-	390.074981	209.3
[M+Na-2H]-	352.035796	168.0
[M]+	331.06058142	179.4
[M]-	331.06167858	179.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.