CID 165945281

2-[5-(piperazin-1-yl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine trihydrochloride

Structural Information

Molecular Formula
C13H19N5
SMILES
C1CN(CCN1)C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C13H19N5/c14-4-3-13-16-11-2-1-10(9-12(11)17-13)18-7-5-15-6-8-18/h1-2,9,15H,3-8,14H2,(H,16,17)
InChIKey
IOIAVOIEHWTULX-UHFFFAOYSA-N
Compound name
2-(6-piperazin-1-yl-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.16405 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.171326 156.9
[M+Na]+ 268.153268 163.6
[M-H]- 244.156774 155.8
[M+NH4]+ 263.197873 169.6
[M+K]+ 284.127208 156.8
[M+H-H2O]+ 228.161310 147.2
[M+HCOO]- 290.162251 171.5
[M+CH3COO]- 304.177901 165.9
[M+Na-2H]- 266.138716 161.0
[M]+ 245.16350142 150.1
[M]- 245.16459858 150.1
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.