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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	343.081216	173.9
[M+Na]+	365.063158	184.0
[M-H]-	341.066664	181.1
[M+NH4]+	360.107763	185.9
[M+K]+	381.037098	182.5
[M+H-H2O]+	325.071200	165.8
[M+HCOO]-	387.072141	193.2
[M+CH3COO]-	401.087791	208.7
[M+Na-2H]-	363.048606	177.8
[M]+	342.07339142	180.5
[M]-	342.07448858	180.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.