CID 5748562

Herbacetin 3,7,8-trimethyl ether

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC
InChI
InChI=1S/C18H16O7/c1-22-12-8-11(20)13-14(21)18(24-3)15(25-17(13)16(12)23-2)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
InChIKey
IUKBSFKDMZKGMT-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

344.0896 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.096876 175.2
[M+Na]+ 367.078818 186.2
[M-H]- 343.082324 182.7
[M+NH4]+ 362.123423 187.6
[M+K]+ 383.052758 184.8
[M+H-H2O]+ 327.086860 167.0
[M+HCOO]- 389.087801 195.3
[M+CH3COO]- 403.103451 210.3
[M+Na-2H]- 365.064266 179.6
[M]+ 344.08905142 183.6
[M]- 344.09014858 183.6
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.