CID 165948119

3-{2-[2-(2-aminoethyl)-1h-1,3-benzodiazol-1-yl]ethyl}benzamide dihydrochloride

Structural Information

Molecular Formula
C18H20N4O
SMILES
C1=CC=C2C(=C1)N=C(N2CCC3=CC(=CC=C3)C(=O)N)CCN
InChI
InChI=1S/C18H20N4O/c19-10-8-17-21-15-6-1-2-7-16(15)22(17)11-9-13-4-3-5-14(12-13)18(20)23/h1-7,12H,8-11,19H2,(H2,20,23)
InChIKey
JBWYYGNZCVOBQM-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1637 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 173.5
[M+Na]+ 331.15292 186.1
[M+NH4]+ 326.19752 180.5
[M+K]+ 347.12686 180.7
[M-H]- 307.15642 177.6
[M+Na-2H]- 329.13837 180.5
[M]+ 308.16315 176.3
[M]- 308.16425 176.3
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.