CID 473207

3-chloro-4-(3-furyl)-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)azetidin-2-one

Structural Information

Molecular Formula

C₁₇H₁₈ClNO₃

SMILES

CC1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=COC=C3)C(C)C)O

InChI

InChI=1S/C17H18ClNO3/c1-9(2)12-7-13(10(3)6-14(12)20)19-16(15(18)17(19)21)11-4-5-22-8-11/h4-9,15-16,20H,1-3H3

InChIKey

BLLOQVCHUJSMIL-UHFFFAOYSA-N

Compound name

3-chloro-4-(furan-3-yl)-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)azetidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.09753 Da
Monoisotopic Mass: 3.4
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]+	320.104806	167.1
[M+Na]+	342.086748	176.0
[M-H]-	318.090254	175.5
[M+NH4]+	337.131353	175.3
[M+K]+	358.060688	174.7
[M+H-H2O]+	302.094790	155.7
[M+HCOO]-	364.095731	181.0
[M+CH3COO]-	378.111381	209.0
[M+Na-2H]-	340.072196	165.4
[M]+	319.09698142	180.3
[M]-	319.09807858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.