CID 104658

4-(2,4-dimethoxybenzoyl)morpholine

Structural Information

Molecular Formula
C13H17NO4
SMILES
COC1=CC(=C(C=C1)C(=O)N2CCOCC2)OC
InChI
InChI=1S/C13H17NO4/c1-16-10-3-4-11(12(9-10)17-2)13(15)14-5-7-18-8-6-14/h3-4,9H,5-8H2,1-2H3
InChIKey
XQZNKJRFTGYVDR-UHFFFAOYSA-N
Compound name
(2,4-dimethoxyphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

251.11575 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 155.8
[M+Na]+ 274.10497 161.5
[M-H]- 250.10847 161.3
[M+NH4]+ 269.14957 169.9
[M+K]+ 290.07891 161.5
[M+H-H2O]+ 234.11301 147.5
[M+HCOO]- 296.11395 174.0
[M+CH3COO]- 310.12960 192.7
[M+Na-2H]- 272.09042 159.7
[M]+ 251.11520 156.5
[M]- 251.11630 156.5
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.