CID 24908

1-(2-(diethylamino)ethoxy)-2-phenylbenzimidazole dihydrochloride

Structural Information

Molecular Formula
C19H24N3O
SMILES
CCN(CC)CCO[N+]1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O/c1-3-21(4-2)14-15-23-22-18-13-9-8-12-17(18)20-19(22)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3/p+1
InChIKey
UGVICQZDHVVUGA-UHFFFAOYSA-O
Compound name
N,N-diethyl-2-[(2-phenyl-3H-benzimidazol-1-ium-1-yl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.19193 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19921 172.8
[M+Na]+ 333.18115 188.8
[M+NH4]+ 328.22575 182.0
[M+K]+ 349.15509 182.7
[M-H]- 309.18465 178.9
[M+Na-2H]- 331.16660 182.2
[M]+ 310.19138 177.3
[M]- 310.19248 177.3
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

No patent data available for this compound.