CID 44259655

Vellokaempferol 3,4'-dimethyl ether

Structural Information

Molecular Formula
C22H20O6
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=C(O3)C4=CC=C(C=C4)OC)OC
InChI
InChI=1S/C22H20O6/c1-11(2)15-9-14-16(27-15)10-17-18(19(14)23)20(24)22(26-4)21(28-17)12-5-7-13(25-3)8-6-12/h5-8,10,15,23H,1,9H2,2-4H3
InChIKey
VXTJIBRFWJWOHR-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methoxy-7-(4-methoxyphenyl)-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

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.133256 188.4
[M+Na]+ 403.115198 198.5
[M-H]- 379.118704 198.2
[M+NH4]+ 398.159803 201.2
[M+K]+ 419.089138 196.7
[M+H-H2O]+ 363.123240 181.4
[M+HCOO]- 425.124181 205.6
[M+CH3COO]- 439.139831 220.7
[M+Na-2H]- 401.100646 189.6
[M]+ 380.12543142 195.8
[M]- 380.12652858 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.