CID 15126641

Velloquercetin 3,3',4'-trimethyl ether

Structural Information

Molecular Formula
C23H22O7
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C(=C(O3)C4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C23H22O7/c1-11(2)15-9-13-16(29-15)10-18-19(20(13)24)21(25)23(28-5)22(30-18)12-6-7-14(26-3)17(8-12)27-4/h6-8,10,15,24H,1,9H2,2-5H3
InChIKey
DOLRPGHVVKBWMY-UHFFFAOYSA-N
Compound name
7-(3,4-dimethoxyphenyl)-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

410.13657 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14385 195.8
[M+Na]+ 433.12579 205.9
[M-H]- 409.12929 205.7
[M+NH4]+ 428.17039 207.4
[M+K]+ 449.09973 204.9
[M+H-H2O]+ 393.13383 188.6
[M+HCOO]- 455.13477 212.6
[M+CH3COO]- 469.15042 227.4
[M+Na-2H]- 431.11124 196.1
[M]+ 410.13602 205.4
[M]- 410.13712 205.4
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

No patent data available for this compound.