CID 252471

Muningin

Structural Information

Molecular Formula

C₁₇H₁₄O₆

SMILES

COC1=C(C(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O

InChI

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

InChIKey

KVSCSPAYYVSPTI-UHFFFAOYSA-N

Compound name

6-hydroxy-3-(4-hydroxyphenyl)-5,7-dimethoxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 314.07904 Da
Monoisotopic Mass: 2.4
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