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]+ 397.128176 192.1
[M+Na]+ 419.110118 202.6
[M-H]- 395.113624 200.0
[M+NH4]+ 414.154723 203.3
[M+K]+ 435.084058 200.5
[M+H-H2O]+ 379.118160 185.9
[M+HCOO]- 441.119101 206.2
[M+CH3COO]- 455.134751 222.1
[M+Na-2H]- 417.095566 191.5
[M]+ 396.12035142 198.5
[M]- 396.12144858 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.