CID 14353449

8-demethyllatifolin

Structural Information

Molecular Formula
C18H16O6
SMILES
CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC
InChI
InChI=1S/C18H16O6/c1-9-12(22-2)8-13-14(15(9)20)16(21)18(23-3)17(24-13)10-4-6-11(19)7-5-10/h4-8,19-20H,1-3H3
InChIKey
DTOUWUNQCABKEZ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.6
[M+Na]+ 351.08392 183.9
[M-H]- 327.08742 180.1
[M+NH4]+ 346.12852 185.8
[M+K]+ 367.05786 181.7
[M+H-H2O]+ 311.09196 164.8
[M+HCOO]- 373.09290 192.5
[M+CH3COO]- 387.10855 208.0
[M+Na-2H]- 349.06937 176.8
[M]+ 328.09415 179.6
[M]- 328.09525 179.6
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.