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]+ 282.09722 158.4
[M+Na]+ 304.07916 166.8
[M-H]- 280.08266 165.1
[M+NH4]+ 299.12376 173.6
[M+K]+ 320.05310 167.3
[M+H-H2O]+ 264.08720 151.3
[M+HCOO]- 326.08814 179.4
[M+CH3COO]- 340.10379 198.3
[M+Na-2H]- 302.06461 159.9
[M]+ 281.08939 164.3
[M]- 281.09049 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.