CID 503326

3-bromo-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine

Structural Information

Molecular Formula
C15H17BrN4
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C3=NN=C(C=C3)Br
InChI
InChI=1S/C15H17BrN4/c1-12-3-2-4-13(11-12)19-7-9-20(10-8-19)15-6-5-14(16)17-18-15/h2-6,11H,7-10H2,1H3
InChIKey
VEEKGKCCJDLMIG-UHFFFAOYSA-N
Compound name
3-bromo-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

332.06366 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07094 169.2
[M+Na]+ 355.05288 179.1
[M-H]- 331.05638 175.4
[M+NH4]+ 350.09748 181.4
[M+K]+ 371.02682 166.3
[M+H-H2O]+ 315.06092 165.4
[M+HCOO]- 377.06186 182.9
[M+CH3COO]- 391.07751 180.5
[M+Na-2H]- 353.03833 175.1
[M]+ 332.06311 183.8
[M]- 332.06421 183.8
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.