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 185.4
[M+Na]+ 355.16418 192.1
[M-H]- 331.16768 188.8
[M+NH4]+ 350.20878 189.4
[M+K]+ 371.13812 183.6
[M+H-H2O]+ 315.17222 170.2
[M+HCOO]- 377.17316 197.3
[M+CH3COO]- 391.18881 192.4
[M+Na-2H]- 353.14963 190.0
[M]+ 332.17441 180.1
[M]- 332.17551 180.1
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