CID 11515480

Minozac free base

Structural Information

Molecular Formula
C19H20N6
SMILES
CC1=CC(=NN=C1N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H20N6/c1-15-14-17(16-6-3-2-4-7-16)22-23-18(15)24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9,14H,10-13H2,1H3
InChIKey
ASVQCPUSQNFHHU-UHFFFAOYSA-N
Compound name
4-methyl-6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

56
Patents

332.17496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18224 182.2
[M+Na]+ 355.16418 199.7
[M+NH4]+ 350.20878 188.9
[M+K]+ 371.13812 190.7
[M-H]- 331.16768 188.1
[M+Na-2H]- 353.14963 194.3
[M]+ 332.17441 186.5
[M]- 332.17551 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe