CID 3047876

Morpholine, n-(4-acetoxy-3,5-dimethoxybenzoyl)-

Structural Information

Molecular Formula
C15H19NO6
SMILES
CC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCOCC2)OC
InChI
InChI=1S/C15H19NO6/c1-10(17)22-14-12(19-2)8-11(9-13(14)20-3)15(18)16-4-6-21-7-5-16/h8-9H,4-7H2,1-3H3
InChIKey
GGHSWVWWERTCTE-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(morpholine-4-carbonyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12125 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.128526 168.5
[M+Na]+ 332.110468 174.0
[M-H]- 308.113974 174.1
[M+NH4]+ 327.155073 180.2
[M+K]+ 348.084408 174.9
[M+H-H2O]+ 292.118510 159.9
[M+HCOO]- 354.119451 185.6
[M+CH3COO]- 368.135101 203.9
[M+Na-2H]- 330.095916 169.8
[M]+ 309.12070142 171.9
[M]- 309.12179858 171.9
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.