CID 137935989

2253639-59-5

Structural Information

Molecular Formula
C15H20N4
SMILES
CN1C(=CC=N1)C2CNCCN2CC3=CC=CC=C3
InChI
InChI=1S/C15H20N4/c1-18-14(7-8-17-18)15-11-16-9-10-19(15)12-13-5-3-2-4-6-13/h2-8,15-16H,9-12H2,1H3
InChIKey
QOBDAZHJBZXOEO-UHFFFAOYSA-N
Compound name
1-benzyl-2-(2-methylpyrazol-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.176076 162.3
[M+Na]+ 279.158018 168.1
[M-H]- 255.161524 164.6
[M+NH4]+ 274.202623 174.3
[M+K]+ 295.131958 162.3
[M+H-H2O]+ 239.166060 151.1
[M+HCOO]- 301.167001 177.2
[M+CH3COO]- 315.182651 171.6
[M+Na-2H]- 277.143466 164.2
[M]+ 256.16825142 156.6
[M]- 256.16934858 156.6
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.