CID 63047824

4-[5-(piperazin-1-yl)-1h-pyrazol-3-yl]benzonitrile

Structural Information

Molecular Formula
C14H15N5
SMILES
C1CN(CCN1)C2=NNC(=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C14H15N5/c15-10-11-1-3-12(4-2-11)13-9-14(18-17-13)19-7-5-16-6-8-19/h1-4,9,16H,5-8H2,(H,17,18)
InChIKey
ZJGWGTLVERFCOW-UHFFFAOYSA-N
Compound name
4-(3-piperazin-1-yl-1H-pyrazol-5-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13275 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14003 156.9
[M+Na]+ 276.12197 164.4
[M-H]- 252.12547 155.8
[M+NH4]+ 271.16657 166.3
[M+K]+ 292.09591 156.5
[M+H-H2O]+ 236.13001 139.2
[M+HCOO]- 298.13095 167.3
[M+CH3COO]- 312.14660 164.1
[M+Na-2H]- 274.10742 158.7
[M]+ 253.13220 144.1
[M]- 253.13330 144.1
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.