CID 6918636

Deoxyfunicone

Structural Information

Molecular Formula
C19H18O7
SMILES
C/C=C/C1=CC(=O)C(=CO1)C(=O)C2=C(C=C(C=C2OC)OC)C(=O)OC
InChI
InChI=1S/C19H18O7/c1-5-6-11-8-15(20)14(10-26-11)18(21)17-13(19(22)25-4)7-12(23-2)9-16(17)24-3/h5-10H,1-4H3/b6-5+
InChIKey
TZXWWWSFTQHNBQ-AATRIKPKSA-N
Compound name
methyl 3,5-dimethoxy-2-[4-oxo-6-[(E)-prop-1-enyl]pyran-3-carbonyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

358.10526 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 177.9
[M+Na]+ 381.09448 186.9
[M-H]- 357.09798 186.3
[M+NH4]+ 376.13908 189.6
[M+K]+ 397.06842 186.4
[M+H-H2O]+ 341.10252 169.6
[M+HCOO]- 403.10346 199.9
[M+CH3COO]- 417.11911 215.5
[M+Na-2H]- 379.07993 178.9
[M]+ 358.10471 187.3
[M]- 358.10581 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.