CID 3047890

63868-64-4

Structural Information

Molecular Formula
C14H15NO7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2C(=O)COCC2=O
InChI
InChI=1S/C14H15NO7/c1-19-9-4-8(5-10(20-2)13(9)21-3)14(18)15-11(16)6-22-7-12(15)17/h4-5H,6-7H2,1-3H3
InChIKey
SXBYDKRBTYZLAC-UHFFFAOYSA-N
Compound name
4-(3,4,5-trimethoxybenzoyl)morpholine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.08484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09212 163.9
[M+Na]+ 332.07406 172.1
[M-H]- 308.07756 170.5
[M+NH4]+ 327.11866 176.1
[M+K]+ 348.04800 172.7
[M+H-H2O]+ 292.08210 155.7
[M+HCOO]- 354.08304 182.8
[M+CH3COO]- 368.09869 204.9
[M+Na-2H]- 330.05951 165.9
[M]+ 309.08429 169.3
[M]- 309.08539 169.3
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.