CID 44259693

6-c-methylquercetin 3,7,3'-trimethyl ether

Structural Information

Molecular Formula
C19H18O7
SMILES
CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC)OC
InChI
InChI=1S/C19H18O7/c1-9-12(23-2)8-14-15(16(9)21)17(22)19(25-4)18(26-14)10-5-6-11(20)13(7-10)24-3/h5-8,20-21H,1-4H3
InChIKey
DHMDSOOMIYBNSO-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.10526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.112536 180.0
[M+Na]+ 381.094478 191.3
[M-H]- 357.097984 187.6
[M+NH4]+ 376.139083 192.1
[M+K]+ 397.068418 189.9
[M+H-H2O]+ 341.102520 171.8
[M+HCOO]- 403.103461 199.6
[M+CH3COO]- 417.119111 214.7
[M+Na-2H]- 379.079926 183.1
[M]+ 358.10471142 189.1
[M]- 358.10580858 189.1
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.