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)-3-pyridinyl]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]+ 270.171306 165.6
[M+Na]+ 292.153248 171.1
[M-H]- 268.156754 168.4
[M+NH4]+ 287.197853 175.1
[M+K]+ 308.127188 165.1
[M+H-H2O]+ 252.161290 153.5
[M+HCOO]- 314.162231 181.5
[M+CH3COO]- 328.177881 174.4
[M+Na-2H]- 290.138696 170.8
[M]+ 269.16348142 159.1
[M]- 269.16457858 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.