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]+ 219.16043 149.5
[M+Na]+ 241.14237 158.3
[M-H]- 217.14587 152.8
[M+NH4]+ 236.18697 168.5
[M+K]+ 257.11631 155.5
[M+H-H2O]+ 201.15041 141.3
[M+HCOO]- 263.15135 174.5
[M+CH3COO]- 277.16700 197.6
[M+Na-2H]- 239.12782 155.5
[M]+ 218.15260 152.1
[M]- 218.15370 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.