CID 203474

Piperazine, 1-(3-amino-4-pyridyl)-4-benzyl-

Structural Information

Molecular Formula
C16H20N4
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=C(C=NC=C3)N
InChI
InChI=1S/C16H20N4/c17-15-12-18-7-6-16(15)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,17H2
InChIKey
OENKIFHZQWWYBT-UHFFFAOYSA-N
Compound name
4-(4-benzylpiperazin-1-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.176076 165.0
[M+Na]+ 291.158018 170.1
[M-H]- 267.161524 169.1
[M+NH4]+ 286.202623 176.0
[M+K]+ 307.131958 164.2
[M+H-H2O]+ 251.166060 153.5
[M+HCOO]- 313.167001 182.0
[M+CH3COO]- 327.182651 174.2
[M+Na-2H]- 289.143466 169.6
[M]+ 268.16825142 158.4
[M]- 268.16934858 158.4
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.