CID 28787

2-benzyl-1-(diethylaminoethyl)benzimidazole hydrochloride

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

0
Patents

307.20483 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.21211 176.1
[M+Na]+ 330.19405 183.5
[M-H]- 306.19755 182.2
[M+NH4]+ 325.23865 191.4
[M+K]+ 346.16799 178.2
[M+H-H2O]+ 290.20209 165.8
[M+HCOO]- 352.20303 199.3
[M+CH3COO]- 366.21868 187.2
[M+Na-2H]- 328.17950 180.4
[M]+ 307.20428 180.5
[M]- 307.20538 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe