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 172.9
[M+Na]+ 331.15292 181.0
[M-H]- 307.15642 177.6
[M+NH4]+ 326.19752 186.9
[M+K]+ 347.12686 174.9
[M+H-H2O]+ 291.16096 163.5
[M+HCOO]- 353.16190 195.6
[M+CH3COO]- 367.17755 183.6
[M+Na-2H]- 329.13837 176.1
[M]+ 308.16315 173.4
[M]- 308.16425 173.4
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.