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]+ 246.17133 156.9
[M+Na]+ 268.15327 163.6
[M-H]- 244.15677 155.8
[M+NH4]+ 263.19787 169.6
[M+K]+ 284.12721 156.8
[M+H-H2O]+ 228.16131 147.2
[M+HCOO]- 290.16225 171.5
[M+CH3COO]- 304.17790 165.9
[M+Na-2H]- 266.13872 161.0
[M]+ 245.16350 150.1
[M]- 245.16460 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.