CID 14496547

Europinidin

Structural Information

Molecular Formula

C₁₇H₁₅O₇

SMILES

COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC)O

InChI

InChI=1S/C17H14O7/c1-22-13-5-9(18)6-14-10(13)7-12(20)17(24-14)8-3-11(19)16(21)15(4-8)23-2/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1

InChIKey

XJXMPIWHBIOJSH-UHFFFAOYSA-O

Compound name

2-(3,4-dihydroxy-5-methoxyphenyl)-5-methoxychromenylium-3,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 736
Patents: 331.0818 Da
Monoisotopic Mass: None
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]+	332.08908	175.4
[M+Na]+	354.07102	185.1
[M-H]-	330.07452	180.5
[M+NH4]+	349.11562	186.5
[M+K]+	370.04496	177.3
[M+H-H2O]+	314.07906	170.4
[M+HCOO]-	376.08000	192.1
[M+CH3COO]-	390.09565	196.4
[M+Na-2H]-	352.05647	181.7
[M]+	331.08125	179.3
[M]-	331.08235	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe