CID 5951053

20208-21-3

Structural Information

Molecular Formula

C₁₈H₁₆N₄O

SMILES

C1=CC=C2C(=C1)NC(=N2)/C=C/C3=NC4=CC=CC=C4N3CCO

InChI

InChI=1S/C18H16N4O/c23-12-11-22-16-8-4-3-7-15(16)21-18(22)10-9-17-19-13-5-1-2-6-14(13)20-17/h1-10,23H,11-12H2,(H,19,20)/b10-9+

InChIKey

ZZQQXWDSSMQERZ-MDZDMXLPSA-N

Compound name

2-[2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]benzimidazol-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 304.13242 Da
Monoisotopic Mass: 2.6
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]+	305.13970	171.4
[M+Na]+	327.12164	187.0
[M+NH4]+	322.16624	178.6
[M+K]+	343.09558	182.3
[M-H]-	303.12514	173.5
[M+Na-2H]-	325.10709	178.4
[M]+	304.13187	174.2
[M]-	304.13297	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe