CID 44259649

Vellokaempferol 3,5-dimethyl ether

Structural Information

Molecular Formula
C22H20O6
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)OC
InChI
InChI=1S/C22H20O6/c1-11(2)15-9-14-16(27-15)10-17-18(21(14)25-3)19(24)22(26-4)20(28-17)12-5-7-13(23)8-6-12/h5-8,10,15,23H,1,9H2,2-4H3
InChIKey
FRJBYSJHGINKNZ-UHFFFAOYSA-N
Compound name
7-(4-hydroxyphenyl)-4,6-dimethoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.12598 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13326 188.4
[M+Na]+ 403.11520 198.5
[M-H]- 379.11870 198.2
[M+NH4]+ 398.15980 201.2
[M+K]+ 419.08914 196.7
[M+H-H2O]+ 363.12324 181.4
[M+HCOO]- 425.12418 205.6
[M+CH3COO]- 439.13983 220.7
[M+Na-2H]- 401.10065 189.6
[M]+ 380.12543 195.8
[M]- 380.12653 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.