CID 28303703

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

Structural Information

Molecular Formula
C13H20N4
SMILES
CN(C)CCN1C2=CC=CC=C2N=C1CCN
InChI
InChI=1S/C13H20N4/c1-16(2)9-10-17-12-6-4-3-5-11(12)15-13(17)7-8-14/h3-6H,7-10,14H2,1-2H3
InChIKey
AINOOVUEMHGNFE-UHFFFAOYSA-N
Compound name
2-[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17608 154.1
[M+Na]+ 255.15802 162.5
[M-H]- 231.16152 157.2
[M+NH4]+ 250.20262 172.6
[M+K]+ 271.13196 159.4
[M+H-H2O]+ 215.16606 145.7
[M+HCOO]- 277.16700 178.8
[M+CH3COO]- 291.18265 200.6
[M+Na-2H]- 253.14347 159.5
[M]+ 232.16825 157.1
[M]- 232.16935 157.1
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.