CID 33677366

1105196-46-0

Structural Information

Molecular Formula
C12H18N4O
SMILES
CC(C)C1=NNC(=O)C2=C1C=NN2C(C)(C)C
InChI
InChI=1S/C12H18N4O/c1-7(2)9-8-6-13-16(12(3,4)5)10(8)11(17)15-14-9/h6-7H,1-5H3,(H,15,17)
InChIKey
LVDANKIJRLFMIV-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

234.14806 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 156.9
[M+Na]+ 257.13728 168.3
[M-H]- 233.14078 156.1
[M+NH4]+ 252.18188 172.5
[M+K]+ 273.11122 164.1
[M+H-H2O]+ 217.14532 149.5
[M+HCOO]- 279.14626 173.4
[M+CH3COO]- 293.16191 191.3
[M+Na-2H]- 255.12273 161.6
[M]+ 234.14751 159.7
[M]- 234.14861 159.7
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