CID 28787

17817-84-4

Structural Information

Molecular Formula

C₂₀H₂₅N₃

SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3/c1-3-22(4-2)14-15-23-19-13-9-8-12-18(19)21-20(23)16-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3

InChIKey

SLARNFUTJISNHU-UHFFFAOYSA-N

Compound name

2-(2-benzylbenzimidazol-1-yl)-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.20483 Da
Monoisotopic Mass: 4.1
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]+	308.212106	176.1
[M+Na]+	330.194048	183.5
[M-H]-	306.197554	182.2
[M+NH4]+	325.238653	191.4
[M+K]+	346.167988	178.2
[M+H-H2O]+	290.202090	165.8
[M+HCOO]-	352.203031	199.3
[M+CH3COO]-	366.218681	187.2
[M+Na-2H]-	328.179496	180.4
[M]+	307.20428142	180.5
[M]-	307.20537858	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe