CID 55146909

1-[3-(pyridin-3-yl)-1h-pyrazol-5-yl]piperazine trihydrochloride

Structural Information

Molecular Formula
C12H15N5
SMILES
C1CN(CCN1)C2=NNC(=C2)C3=CN=CC=C3
InChI
InChI=1S/C12H15N5/c1-2-10(9-14-3-1)11-8-12(16-15-11)17-6-4-13-5-7-17/h1-3,8-9,13H,4-7H2,(H,15,16)
InChIKey
SCBBIFQQNJDTJI-UHFFFAOYSA-N
Compound name
1-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13275 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14003 153.7
[M+Na]+ 252.12197 166.4
[M+NH4]+ 247.16657 160.4
[M+K]+ 268.09591 161.8
[M-H]- 228.12547 155.9
[M+Na-2H]- 250.10742 161.7
[M]+ 229.13220 155.9
[M]- 229.13330 155.9
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.