CID 386620

Nsc679074

Structural Information

Molecular Formula
C15H23N7O
SMILES
CN1CCN(CC1)C2=NNC(=O)C3=C2N=NN3C4CCCCC4
InChI
InChI=1S/C15H23N7O/c1-20-7-9-21(10-8-20)14-12-13(15(23)18-17-14)22(19-16-12)11-5-3-2-4-6-11/h11H,2-10H2,1H3,(H,18,23)
InChIKey
CBKVJEDOWJQSFM-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(4-methylpiperazin-1-yl)-6H-triazolo[4,5-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1964 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20368 181.6
[M+Na]+ 340.18562 188.7
[M-H]- 316.18912 181.0
[M+NH4]+ 335.23022 187.8
[M+K]+ 356.15956 181.4
[M+H-H2O]+ 300.19366 168.3
[M+HCOO]- 362.19460 189.2
[M+CH3COO]- 376.21025 188.1
[M+Na-2H]- 338.17107 181.7
[M]+ 317.19585 174.8
[M]- 317.19695 174.8
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.