CID 13888643

8-hydroxygalangin 7-methyl ether 8-acetate

Structural Information

Molecular Formula
C18H14O7
SMILES
CC(=O)OC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C18H14O7/c1-9(19)24-17-12(23-2)8-11(20)13-14(21)15(22)16(25-18(13)17)10-6-4-3-5-7-10/h3-8,20,22H,1-2H3
InChIKey
CYWVJNOMQDSVKH-UHFFFAOYSA-N
Compound name
(3,5-dihydroxy-7-methoxy-4-oxo-2-phenylchromen-8-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07394 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08122 173.9
[M+Na]+ 365.06316 184.0
[M-H]- 341.06666 181.1
[M+NH4]+ 360.10776 185.9
[M+K]+ 381.03710 182.5
[M+H-H2O]+ 325.07120 165.8
[M+HCOO]- 387.07214 193.2
[M+CH3COO]- 401.08779 208.7
[M+Na-2H]- 363.04861 177.8
[M]+ 342.07339 180.5
[M]- 342.07449 180.5
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.