CID 15224752

Leucanthogenin

Structural Information

Molecular Formula
C17H14O8
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O)OC
InChI
InChI=1S/C17H14O8/c1-23-16-13(21)12-10(20)6-11(7-3-4-8(18)9(19)5-7)25-15(12)14(22)17(16)24-2/h3-6,18-19,21-22H,1-2H3
InChIKey
VZNIMRVJHRTTKA-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-6,7-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.06888 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07616 174.3
[M+Na]+ 369.05810 185.3
[M-H]- 345.06160 179.5
[M+NH4]+ 364.10270 185.3
[M+K]+ 385.03204 183.6
[M+H-H2O]+ 329.06614 166.7
[M+HCOO]- 391.06708 191.7
[M+CH3COO]- 405.08273 207.3
[M+Na-2H]- 367.04355 177.7
[M]+ 346.06833 180.7
[M]- 346.06943 180.7
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.