CID 165591046

6-{[2-(2-aminoethyl)-1h-1,3-benzodiazol-1-yl]methyl}-n-methylpyridine-3-carboxamide trihydrochloride

Structural Information

Molecular Formula
C17H19N5O
SMILES
CNC(=O)C1=CN=C(C=C1)CN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C17H19N5O/c1-19-17(23)12-6-7-13(20-10-12)11-22-15-5-3-2-4-14(15)21-16(22)8-9-18/h2-7,10H,8-9,11,18H2,1H3,(H,19,23)
InChIKey
CRAAECPKKOKAIK-UHFFFAOYSA-N
Compound name
6-[[2-(2-aminoethyl)benzimidazol-1-yl]methyl]-N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15897 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.166246 172.7
[M+Na]+ 332.148188 181.3
[M-H]- 308.151694 176.8
[M+NH4]+ 327.192793 185.6
[M+K]+ 348.122128 175.5
[M+H-H2O]+ 292.156230 162.6
[M+HCOO]- 354.157171 195.0
[M+CH3COO]- 368.172821 183.3
[M+Na-2H]- 330.133636 177.6
[M]+ 309.15842142 174.3
[M]- 309.15951858 174.3
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.