CID 5378823

15486-33-6

Structural Information

Molecular Formula

C₁₇H₁₄O₆

SMILES

COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O

InChI

InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3

InChIKey

KZBAXKKOXPLOBX-UHFFFAOYSA-N

Compound name

3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 43
Patents: 314.07904 Da
Monoisotopic Mass: 2.5
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]+	315.08632	167.8
[M+Na]+	337.06826	178.7
[M-H]-	313.07176	175.1
[M+NH4]+	332.11286	181.3
[M+K]+	353.04220	176.6
[M+H-H2O]+	297.07630	160.0
[M+HCOO]-	359.07724	188.1
[M+CH3COO]-	373.09289	203.6
[M+Na-2H]-	335.05371	173.2
[M]+	314.07849	174.0
[M]-	314.07959	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe