CID 100927768

Lepidine f

Structural Information

Molecular Formula

C₂₀H₁₈N₄O₂

SMILES

C1=CC(=C(C=C1CC2=NC=CN2)C3=C(C=C(C=C3)O)CC4=NC=CN4)O

InChI

InChI=1S/C20H18N4O2/c25-15-2-3-16(14(11-15)12-20-23-7-8-24-20)17-9-13(1-4-18(17)26)10-19-21-5-6-22-19/h1-9,11,25-26H,10,12H2,(H,21,22)(H,23,24)

InChIKey

XQANLWORMFUCPG-UHFFFAOYSA-N

Compound name

2-[4-hydroxy-2-(1H-imidazol-2-ylmethyl)phenyl]-4-(1H-imidazol-2-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 346.14297 Da
Monoisotopic Mass: 3.0
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]+	347.150246	178.8
[M+Na]+	369.132188	187.5
[M-H]-	345.135694	183.2
[M+NH4]+	364.176793	187.2
[M+K]+	385.106128	178.8
[M+H-H2O]+	329.140230	168.7
[M+HCOO]-	391.141171	195.8
[M+CH3COO]-	405.156821	187.9
[M+Na-2H]-	367.117636	179.2
[M]+	346.14242142	177.2
[M]-	346.14351858	177.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.