CID 83949255

2-{5-[(piperazin-1-yl)methyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine tetrahydrochloride

Structural Information

Molecular Formula
C14H21N5
SMILES
C1CN(CCN1)CC2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C14H21N5/c15-4-3-14-17-12-2-1-11(9-13(12)18-14)10-19-7-5-16-6-8-19/h1-2,9,16H,3-8,10,15H2,(H,17,18)
InChIKey
VOBZSBAXSCLUOU-UHFFFAOYSA-N
Compound name
2-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1797 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18698 161.1
[M+Na]+ 282.16892 167.3
[M-H]- 258.17242 159.8
[M+NH4]+ 277.21352 173.3
[M+K]+ 298.14286 160.4
[M+H-H2O]+ 242.17696 151.2
[M+HCOO]- 304.17790 175.4
[M+CH3COO]- 318.19355 169.7
[M+Na-2H]- 280.15437 164.7
[M]+ 259.17915 154.6
[M]- 259.18025 154.6
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.