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

literature stripe

Patent stripe

patents stripe