CID 165589625

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

Structural Information

Molecular Formula
C18H21N5O
SMILES
CN(C)C(=O)C1=CN=C(C=C1)CN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C18H21N5O/c1-22(2)18(24)13-7-8-14(20-11-13)12-23-16-6-4-3-5-15(16)21-17(23)9-10-19/h3-8,11H,9-10,12,19H2,1-2H3
InChIKey
PIUUJHBZGYYJKI-UHFFFAOYSA-N
Compound name
6-[[2-(2-aminoethyl)benzimidazol-1-yl]methyl]-N,N-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17462 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.181896 177.9
[M+Na]+ 346.163838 186.1
[M-H]- 322.167344 183.2
[M+NH4]+ 341.208443 190.8
[M+K]+ 362.137778 181.4
[M+H-H2O]+ 306.171880 167.4
[M+HCOO]- 368.172821 200.2
[M+CH3COO]- 382.188471 216.8
[M+Na-2H]- 344.149286 181.4
[M]+ 323.17407142 181.0
[M]- 323.17516858 181.0
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.