CID 125424853

4-{5h,6h,7h,8h-pyrido[4,3-c]pyridazin-3-yl}pyridine

Structural Information

Molecular Formula
C12H12N4
SMILES
C1CNCC2=CC(=NN=C21)C3=CC=NC=C3
InChI
InChI=1S/C12H12N4/c1-4-13-5-2-9(1)12-7-10-8-14-6-3-11(10)15-16-12/h1-2,4-5,7,14H,3,6,8H2
InChIKey
MCNYRFCJVZKHPV-UHFFFAOYSA-N
Compound name
3-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1062 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 148.3
[M+Na]+ 235.095418 155.8
[M-H]- 211.098924 148.4
[M+NH4]+ 230.140023 161.2
[M+K]+ 251.069358 149.9
[M+H-H2O]+ 195.103460 137.8
[M+HCOO]- 257.104401 163.2
[M+CH3COO]- 271.120051 158.4
[M+Na-2H]- 233.080866 157.4
[M]+ 212.10565142 143.0
[M]- 212.10674858 143.0
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.