CID 3049204

Md 760548

Structural Information

Molecular Formula

C₁₇H₁₆ClNO₄

SMILES

C1C(OC(=O)N1C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl)CO

InChI

InChI=1S/C17H16ClNO4/c18-13-3-1-2-12(8-13)11-22-15-6-4-14(5-7-15)19-9-16(10-20)23-17(19)21/h1-8,16,20H,9-11H2

InChIKey

PFINJTNHNFCVOD-UHFFFAOYSA-N

Compound name

3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 333.07678 Da
Monoisotopic Mass: 2.9
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]+	334.084056	175.0
[M+Na]+	356.065998	183.5
[M-H]-	332.069504	183.0
[M+NH4]+	351.110603	187.9
[M+K]+	372.039938	179.0
[M+H-H2O]+	316.074040	167.0
[M+HCOO]-	378.074981	190.2
[M+CH3COO]-	392.090631	203.5
[M+Na-2H]-	354.051446	176.1
[M]+	333.07623142	178.5
[M]-	333.07732858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe