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]+ 310.16625 172.7
[M+Na]+ 332.14819 181.3
[M-H]- 308.15169 176.8
[M+NH4]+ 327.19279 185.6
[M+K]+ 348.12213 175.5
[M+H-H2O]+ 292.15623 162.6
[M+HCOO]- 354.15717 195.0
[M+CH3COO]- 368.17282 183.3
[M+Na-2H]- 330.13364 177.6
[M]+ 309.15842 174.3
[M]- 309.15952 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.