CID 44259674

Velloquercetin 3-methyl ether

Structural Information

Molecular Formula
C21H18O7
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)OC
InChI
InChI=1S/C21H18O7/c1-9(2)14-7-11-15(27-14)8-16-17(18(11)24)19(25)21(26-3)20(28-16)10-4-5-12(22)13(23)6-10/h4-6,8,14,22-24H,1,7H2,2-3H3
InChIKey
KEZIEAVJBCMKNF-UHFFFAOYSA-N
Compound name
7-(3,4-dihydroxyphenyl)-4-hydroxy-6-methoxy-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

382.10526 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11254 187.1
[M+Na]+ 405.09448 197.2
[M-H]- 381.09798 194.7
[M+NH4]+ 400.13908 198.6
[M+K]+ 421.06842 195.1
[M+H-H2O]+ 365.10252 180.8
[M+HCOO]- 427.10346 201.6
[M+CH3COO]- 441.11911 217.7
[M+Na-2H]- 403.07993 187.7
[M]+ 382.10471 192.7
[M]- 382.10581 192.7
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.