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]+ 310.12853 168.5
[M+Na]+ 332.11047 174.0
[M-H]- 308.11397 174.1
[M+NH4]+ 327.15507 180.2
[M+K]+ 348.08441 174.9
[M+H-H2O]+ 292.11851 159.9
[M+HCOO]- 354.11945 185.6
[M+CH3COO]- 368.13510 203.9
[M+Na-2H]- 330.09592 169.8
[M]+ 309.12070 171.9
[M]- 309.12180 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.