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]+ 321.18224 176.3
[M+Na]+ 343.16418 179.5
[M-H]- 319.16768 178.8
[M+NH4]+ 338.20878 178.3
[M+K]+ 359.13812 178.8
[M+H-H2O]+ 303.17222 167.2
[M+HCOO]- 365.17316 175.6
[M+CH3COO]- 379.18881 250.4
[M+Na-2H]- 341.14963 172.9
[M]+ 320.17441 170.5
[M]- 320.17551 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.