CID 15160712

Dihydromilletenone methyl ether

Structural Information

Molecular Formula
C19H20O6
SMILES
COC1=CC(=C(C=C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)OC)OC
InChI
InChI=1S/C19H20O6/c1-21-13-5-6-14(18(9-13)23-3)15(20)10-17(22-2)12-4-7-16-19(8-12)25-11-24-16/h4-9,17H,10-11H2,1-3H3
InChIKey
DTXKPYYJPVZPRP-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-3-methoxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 179.3
[M+Na]+ 367.11520 185.9
[M-H]- 343.11870 188.3
[M+NH4]+ 362.15980 192.4
[M+K]+ 383.08914 186.7
[M+H-H2O]+ 327.12324 172.1
[M+HCOO]- 389.12418 198.5
[M+CH3COO]- 403.13983 212.1
[M+Na-2H]- 365.10065 181.5
[M]+ 344.12543 187.3
[M]- 344.12653 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.