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]+ 348.099716 179.5
[M+Na]+ 370.081658 188.0
[M-H]- 346.085164 188.6
[M+NH4]+ 365.126263 192.6
[M+K]+ 386.055598 184.1
[M+H-H2O]+ 330.089700 171.0
[M+HCOO]- 392.090641 195.8
[M+CH3COO]- 406.106291 208.8
[M+Na-2H]- 368.067106 180.5
[M]+ 347.09189142 185.1
[M]- 347.09298858 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.