CID 23155835

5-piperazin-1-yl-1,6-naphthyridine trihydrochloride

Structural Information

Molecular Formula
C12H14N4
SMILES
C1CN(CCN1)C2=NC=CC3=C2C=CC=N3
InChI
InChI=1S/C12H14N4/c1-2-10-11(14-4-1)3-5-15-12(10)16-8-6-13-7-9-16/h1-5,13H,6-9H2
InChIKey
SQSNAEMKKDCJLU-UHFFFAOYSA-N
Compound name
5-piperazin-1-yl-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

214.12184 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 149.8
[M+Na]+ 237.111058 156.2
[M-H]- 213.114564 149.5
[M+NH4]+ 232.155663 162.5
[M+K]+ 253.084998 150.6
[M+H-H2O]+ 197.119100 139.2
[M+HCOO]- 259.120041 163.3
[M+CH3COO]- 273.135691 159.3
[M+Na-2H]- 235.096506 157.8
[M]+ 214.12129142 143.1
[M]- 214.12238858 143.1
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

patents stripe