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]+ 213.11348 148.3
[M+Na]+ 235.09542 155.8
[M-H]- 211.09892 148.4
[M+NH4]+ 230.14002 161.2
[M+K]+ 251.06936 149.9
[M+H-H2O]+ 195.10346 137.8
[M+HCOO]- 257.10440 163.2
[M+CH3COO]- 271.12005 158.4
[M+Na-2H]- 233.08087 157.4
[M]+ 212.10565 143.0
[M]- 212.10675 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.