CID 44259679

8-c-methylquercetin 3-methyl ether

Structural Information

Molecular Formula
C17H14O7
SMILES
CC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC
InChI
InChI=1S/C17H14O7/c1-7-10(19)6-12(21)13-14(22)17(23-2)16(24-15(7)13)8-3-4-9(18)11(20)5-8/h3-6,18-21H,1-2H3
InChIKey
SAQWNSJWKCJGKQ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.07394 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 171.9
[M+Na]+ 353.06316 183.3
[M-H]- 329.06666 177.2
[M+NH4]+ 348.10776 183.7
[M+K]+ 369.03710 180.7
[M+H-H2O]+ 313.07120 164.6
[M+HCOO]- 375.07214 189.2
[M+CH3COO]- 389.08779 204.8
[M+Na-2H]- 351.04861 175.1
[M]+ 330.07339 176.9
[M]- 330.07449 176.9
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