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]+ 324.18190 177.9
[M+Na]+ 346.16384 186.1
[M-H]- 322.16734 183.2
[M+NH4]+ 341.20844 190.8
[M+K]+ 362.13778 181.4
[M+H-H2O]+ 306.17188 167.4
[M+HCOO]- 368.17282 200.2
[M+CH3COO]- 382.18847 216.8
[M+Na-2H]- 344.14929 181.4
[M]+ 323.17407 181.0
[M]- 323.17517 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.