CID 44259675

8-c-methylvelloquercetin 3-methyl ether

Structural Information

Molecular Formula
C22H20O7
SMILES
CC1=C2C(=C(C3=C1OC(C3)C(=C)C)O)C(=O)C(=C(O2)C4=CC(=C(C=C4)O)O)OC
InChI
InChI=1S/C22H20O7/c1-9(2)15-8-12-17(25)16-18(26)22(27-4)21(11-5-6-13(23)14(24)7-11)29-20(16)10(3)19(12)28-15/h5-7,15,23-25H,1,8H2,2-4H3
InChIKey
CHZNUCAJDKMYOD-UHFFFAOYSA-N
Compound name
7-(3,4-dihydroxyphenyl)-4-hydroxy-6-methoxy-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

396.1209 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12818 192.1
[M+Na]+ 419.11012 202.6
[M-H]- 395.11362 200.0
[M+NH4]+ 414.15472 203.3
[M+K]+ 435.08406 200.5
[M+H-H2O]+ 379.11816 185.9
[M+HCOO]- 441.11910 206.2
[M+CH3COO]- 455.13475 222.1
[M+Na-2H]- 417.09557 191.5
[M]+ 396.12035 198.5
[M]- 396.12145 198.5
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.