CID 71629

Leucocyanidin

Structural Information

Molecular Formula

C₁₅H₁₄O₇

SMILES

C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)O)O)O)O

InChI

InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H

InChIKey

SBZWTSHAFILOTE-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 49
References: 2225
Patents: 306.07394 Da
Monoisotopic Mass: -0.8
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]+	307.08122	166.1
[M+Na]+	329.06316	174.4
[M-H]-	305.06666	167.8
[M+NH4]+	324.10776	177.2
[M+K]+	345.03710	171.3
[M+H-H2O]+	289.07120	159.7
[M+HCOO]-	351.07214	178.0
[M+CH3COO]-	365.08779	194.9
[M+Na-2H]-	327.04861	168.5
[M]+	306.07339	164.5
[M]-	306.07449	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe