CID 44259686

8-c-methylvelloquercetin 3,5,3'-trimethyl ether

Structural Information

Molecular Formula
C24H24O7
SMILES
CC1=C2C(=C(C3=C1OC(C3)C(=C)C)OC)C(=O)C(=C(O2)C4=CC(=C(C=C4)O)OC)OC
InChI
InChI=1S/C24H24O7/c1-11(2)16-10-14-20(30-16)12(3)21-18(23(14)28-5)19(26)24(29-6)22(31-21)13-7-8-15(25)17(9-13)27-4/h7-9,16,25H,1,10H2,2-6H3
InChIKey
YECKJMQNTOROAN-UHFFFAOYSA-N
Compound name
7-(4-hydroxy-3-methoxyphenyl)-4,6-dimethoxy-9-methyl-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

424.1522 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.15948 200.6
[M+Na]+ 447.14142 211.1
[M-H]- 423.14492 210.7
[M+NH4]+ 442.18602 212.0
[M+K]+ 463.11536 210.0
[M+H-H2O]+ 407.14946 193.5
[M+HCOO]- 469.15040 217.0
[M+CH3COO]- 483.16605 231.7
[M+Na-2H]- 445.12687 199.7
[M]+ 424.15165 210.9
[M]- 424.15275 210.9
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.