CID 5481248

146132-95-8

Structural Information

Molecular Formula

C₁₈H₁₆O₈

SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O

InChI

InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)18(12)25-3)17-16(22)15(21)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-20,22H,1-3H3

InChIKey

LHNLHJJGLDWGFS-UHFFFAOYSA-N

Compound name

3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 50
Patents: 360.0845 Da
Monoisotopic Mass: 2.2
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]+	361.09178	178.4
[M+Na]+	383.07372	189.3
[M-H]-	359.07722	184.7
[M+NH4]+	378.11832	189.4
[M+K]+	399.04766	188.2
[M+H-H2O]+	343.08176	170.2
[M+HCOO]-	405.08270	196.9
[M+CH3COO]-	419.09835	212.2
[M+Na-2H]-	381.05917	181.7
[M]+	360.08395	186.8
[M]-	360.08505	186.8

Literature stripe

literature stripe

Patent stripe

patents stripe