CID 5352001

Ermanin

Structural Information

Molecular Formula

C₁₇H₁₄O₆

SMILES

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

InChI

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

InChIKey

RJCJVIFSIXKSAH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 28
References: 70
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]+	315.086316	167.8
[M+Na]+	337.068258	178.7
[M-H]-	313.071764	175.1
[M+NH4]+	332.112863	181.3
[M+K]+	353.042198	176.6
[M+H-H2O]+	297.076300	160.0
[M+HCOO]-	359.077241	188.1
[M+CH3COO]-	373.092891	203.6
[M+Na-2H]-	335.053706	173.2
[M]+	314.07849142	174.0
[M]-	314.07958858	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe