CID 442663

Velloquercetin

Structural Information

Molecular Formula
C20H16O7
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O
InChI
InChI=1S/C20H16O7/c1-8(2)13-6-10-14(26-13)7-15-16(17(10)23)18(24)19(25)20(27-15)9-3-4-11(21)12(22)5-9/h3-5,7,13,21-23,25H,1,6H2,2H3
InChIKey
YFDRNZOCVRPNBL-UHFFFAOYSA-N
Compound name
7-(3,4-dihydroxyphenyl)-4,6-dihydroxy-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

1
Patents

368.0896 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09688 182.8
[M+Na]+ 391.07882 193.0
[M-H]- 367.08232 189.4
[M+NH4]+ 386.12342 194.2
[M+K]+ 407.05276 190.4
[M+H-H2O]+ 351.08686 177.0
[M+HCOO]- 413.08780 196.2
[M+CH3COO]- 427.10345 212.9
[M+Na-2H]- 389.06427 183.6
[M]+ 368.08905 186.5
[M]- 368.09015 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe