CID 20116195

{6-[4-(pyridin-2-yl)piperazin-1-yl]pyridin-3-yl}methanamine

Structural Information

Molecular Formula
C15H19N5
SMILES
C1CN(CCN1C2=NC=C(C=C2)CN)C3=CC=CC=N3
InChI
InChI=1S/C15H19N5/c16-11-13-4-5-15(18-12-13)20-9-7-19(8-10-20)14-3-1-2-6-17-14/h1-6,12H,7-11,16H2
InChIKey
YPTGVBTULAQOKA-UHFFFAOYSA-N
Compound name
[6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16403 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 165.6
[M+Na]+ 292.15325 171.1
[M-H]- 268.15675 168.4
[M+NH4]+ 287.19785 175.1
[M+K]+ 308.12719 165.1
[M+H-H2O]+ 252.16129 153.5
[M+HCOO]- 314.16223 181.5
[M+CH3COO]- 328.17788 174.4
[M+Na-2H]- 290.13870 170.8
[M]+ 269.16348 159.1
[M]- 269.16458 159.1
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.