CID 11381971

[3-(4-chlorophenyl)-2-phenyl-isoxazolidin-5-yl]methyl acetate

Structural Information

Molecular Formula

C₁₈H₁₈ClNO₃

SMILES

CC(=O)OCC1CC(N(O1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO3/c1-13(21)22-12-17-11-18(14-7-9-15(19)10-8-14)20(23-17)16-5-3-2-4-6-16/h2-10,17-18H,11-12H2,1H3

InChIKey

ONAAXHWMVLKFIC-UHFFFAOYSA-N

Compound name

[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.09753 Da
Monoisotopic Mass: 4.3
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]+	332.104806	177.1
[M+Na]+	354.086748	184.7
[M-H]-	330.090254	186.0
[M+NH4]+	349.131353	190.6
[M+K]+	370.060688	180.6
[M+H-H2O]+	314.094790	168.7
[M+HCOO]-	376.095731	192.3
[M+CH3COO]-	390.111381	205.7
[M+Na-2H]-	352.072196	177.5
[M]+	331.09698142	180.3
[M]-	331.09807858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.