CID 205819

Brn 0548436

Structural Information

Molecular Formula
C16H23NO5
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCN2CCOCC2)OC
InChI
InChI=1S/C16H23NO5/c1-19-12-10-14(20-2)16(15(11-12)21-3)13(18)4-5-17-6-8-22-9-7-17/h10-11H,4-9H2,1-3H3
InChIKey
CNGLSKCHWYABAT-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-(2,4,6-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15762 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.164896 171.8
[M+Na]+ 332.146838 176.9
[M-H]- 308.150344 177.0
[M+NH4]+ 327.191443 183.7
[M+K]+ 348.120778 176.9
[M+H-H2O]+ 292.154880 162.9
[M+HCOO]- 354.155821 189.2
[M+CH3COO]- 368.171471 205.7
[M+Na-2H]- 330.132286 173.6
[M]+ 309.15707142 175.5
[M]- 309.15816858 175.5
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.