CID 44258651

Linderoflavone a

Structural Information

Molecular Formula
C18H14O8
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)OC)O
InChI
InChI=1S/C18H14O8/c1-22-17-14(20)13-9(19)6-11(26-16(13)18(23-2)15(17)21)8-3-4-10-12(5-8)25-7-24-10/h3-6,20-21H,7H2,1-2H3
InChIKey
QFVKOJSHXTWDPB-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

358.06888 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07616 177.0
[M+Na]+ 381.05810 188.2
[M-H]- 357.06160 186.8
[M+NH4]+ 376.10270 188.7
[M+K]+ 397.03204 188.9
[M+H-H2O]+ 341.06614 170.6
[M+HCOO]- 403.06708 194.2
[M+CH3COO]- 417.08273 189.5
[M+Na-2H]- 379.04355 182.1
[M]+ 358.06833 186.3
[M]- 358.06943 186.3
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