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 153.6
[M+Na]+ 252.12197 159.4
[M-H]- 228.12547 153.2
[M+NH4]+ 247.16657 164.1
[M+K]+ 268.09591 153.2
[M+H-H2O]+ 212.13001 142.2
[M+HCOO]- 274.13095 166.6
[M+CH3COO]- 288.14660 162.3
[M+Na-2H]- 250.10742 157.3
[M]+ 229.13220 145.1
[M]- 229.13330 145.1
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.