CID 361636

Nsc624855

Structural Information

Molecular Formula
C18H20N6
SMILES
CC(C)(C)C(C#N)(C#N)C1=NN=C(C=C1)C(C#N)(C#N)C(C)(C)C
InChI
InChI=1S/C18H20N6/c1-15(2,3)17(9-19,10-20)13-7-8-14(24-23-13)18(11-21,12-22)16(4,5)6/h7-8H,1-6H3
InChIKey
PDEKDYMNXGZJII-UHFFFAOYSA-N
Compound name
2-tert-butyl-2-[6-(1,1-dicyano-2,2-dimethylpropyl)pyridazin-3-yl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.17496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.182236 176.3
[M+Na]+ 343.164178 179.5
[M-H]- 319.167684 178.8
[M+NH4]+ 338.208783 178.3
[M+K]+ 359.138118 178.8
[M+H-H2O]+ 303.172220 167.2
[M+HCOO]- 365.173161 175.6
[M+CH3COO]- 379.188811 250.4
[M+Na-2H]- 341.149626 172.9
[M]+ 320.17441142 170.5
[M]- 320.17550858 170.5
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.