CID 3047885

4-(3,5-dimethoxy-4-propoxybenzoyl)morpholine

Structural Information

Molecular Formula
C16H23NO5
SMILES
CCCOC1=C(C=C(C=C1OC)C(=O)N2CCOCC2)OC
InChI
InChI=1S/C16H23NO5/c1-4-7-22-15-13(19-2)10-12(11-14(15)20-3)16(18)17-5-8-21-9-6-17/h10-11H,4-9H2,1-3H3
InChIKey
CPUGOOUAOPBYAV-UHFFFAOYSA-N
Compound name
(3,5-dimethoxy-4-propoxyphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15762 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 172.1
[M+Na]+ 332.14684 177.3
[M-H]- 308.15034 177.4
[M+NH4]+ 327.19144 184.0
[M+K]+ 348.12078 177.2
[M+H-H2O]+ 292.15488 163.2
[M+HCOO]- 354.15582 189.5
[M+CH3COO]- 368.17147 205.0
[M+Na-2H]- 330.13229 173.8
[M]+ 309.15707 175.7
[M]- 309.15817 175.7
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.