CID 5272029

Chembl444316

Structural Information

Molecular Formula

C₁₈H₂₀N₆

SMILES

CN(C)CCN1C2=CC=CC=C2N=C1CN3N=C4C=CC=CC4=N3

InChI

InChI=1S/C18H20N6/c1-22(2)11-12-23-17-10-6-5-9-16(17)19-18(23)13-24-20-14-7-3-4-8-15(14)21-24/h3-10H,11-13H2,1-2H3

InChIKey

HRVHPSULNQNCLK-UHFFFAOYSA-N

Compound name

2-[2-(benzotriazol-2-ylmethyl)benzimidazol-1-yl]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 320.17496 Da
Monoisotopic Mass: 2.8
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]+	321.182236	176.0
[M+Na]+	343.164178	187.2
[M-H]-	319.167684	180.8
[M+NH4]+	338.208783	189.7
[M+K]+	359.138118	181.4
[M+H-H2O]+	303.172220	164.7
[M+HCOO]-	365.173161	197.6
[M+CH3COO]-	379.188811	187.3
[M+Na-2H]-	341.149626	181.1
[M]+	320.17441142	182.6
[M]-	320.17550858	182.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.