CID 28303833

1-{1-[2-(dimethylamino)ethyl]-1h-1,3-benzodiazol-2-yl}methanamine trihydrochloride

Structural Information

Molecular Formula
C12H18N4
SMILES
CN(C)CCN1C2=CC=CC=C2N=C1CN
InChI
InChI=1S/C12H18N4/c1-15(2)7-8-16-11-6-4-3-5-10(11)14-12(16)9-13/h3-6H,7-9,13H2,1-2H3
InChIKey
PLPQOHFMACWQAG-UHFFFAOYSA-N
Compound name
2-[2-(aminomethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.160426 149.5
[M+Na]+ 241.142368 158.3
[M-H]- 217.145874 152.8
[M+NH4]+ 236.186973 168.5
[M+K]+ 257.116308 155.5
[M+H-H2O]+ 201.150410 141.3
[M+HCOO]- 263.151351 174.5
[M+CH3COO]- 277.167001 197.6
[M+Na-2H]- 239.127816 155.5
[M]+ 218.15260142 152.1
[M]- 218.15369858 152.1
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.