CID 3061364

79038-56-5

Structural Information

Molecular Formula
C18H18ClNO4
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)COC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H18ClNO4/c1-22-12-17-10-20(18(21)24-17)15-7-5-13(6-8-15)11-23-16-4-2-3-14(19)9-16/h2-9,17H,10-12H2,1H3
InChIKey
QWAHWZLAROUGJL-UHFFFAOYSA-N
Compound name
3-[4-[(3-chlorophenoxy)methyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09972 179.5
[M+Na]+ 370.08166 188.0
[M-H]- 346.08516 188.6
[M+NH4]+ 365.12626 192.6
[M+K]+ 386.05560 184.1
[M+H-H2O]+ 330.08970 171.0
[M+HCOO]- 392.09064 195.8
[M+CH3COO]- 406.10629 208.8
[M+Na-2H]- 368.06711 180.5
[M]+ 347.09189 185.1
[M]- 347.09299 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.