CID 369598

Desmosflavone

Structural Information

Molecular Formula
C18H16O4
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3
InChIKey
PQZXFPBMXPGZMO-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

0
Patents

296.10486 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.2
[M+Na]+ 319.09408 177.6
[M-H]- 295.09758 174.7
[M+NH4]+ 314.13868 181.4
[M+K]+ 335.06802 174.5
[M+H-H2O]+ 279.10212 158.5
[M+HCOO]- 341.10306 187.4
[M+CH3COO]- 355.11871 204.3
[M+Na-2H]- 317.07953 171.3
[M]+ 296.10431 171.6
[M]- 296.10541 171.6
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.