CID 3039668

50915-99-6

Structural Information

Molecular Formula
C13H15NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCOC2=O
InChI
InChI=1S/C13H15NO6/c1-17-9-6-8(7-10(18-2)11(9)19-3)12(15)14-4-5-20-13(14)16/h6-7H,4-5H2,1-3H3
InChIKey
ZWMIIIHUIXPCEP-UHFFFAOYSA-N
Compound name
3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.097216 158.4
[M+Na]+ 304.079158 166.8
[M-H]- 280.082664 165.1
[M+NH4]+ 299.123763 173.6
[M+K]+ 320.053098 167.3
[M+H-H2O]+ 264.087200 151.3
[M+HCOO]- 326.088141 179.4
[M+CH3COO]- 340.103791 198.3
[M+Na-2H]- 302.064606 159.9
[M]+ 281.08939142 164.3
[M]- 281.09048858 164.3
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.