CID 5356675

3438-75-3

Structural Information

Molecular Formula
C12H19N5S
SMILES
CC(C)N(C1=NN=C(C2=C1N=CN2)SC)C(C)C
InChI
InChI=1S/C12H19N5S/c1-7(2)17(8(3)4)11-9-10(14-6-13-9)12(18-5)16-15-11/h6-8H,1-5H3,(H,13,14)
InChIKey
VWWXNIROLRUVKC-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-N,N-di(propan-2-yl)-3H-imidazo[4,5-d]pyridazin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14338 160.5
[M+Na]+ 288.12532 169.9
[M-H]- 264.12882 160.8
[M+NH4]+ 283.16992 175.5
[M+K]+ 304.09926 166.4
[M+H-H2O]+ 248.13336 152.5
[M+HCOO]- 310.13430 173.9
[M+CH3COO]- 324.14995 201.9
[M+Na-2H]- 286.11077 161.5
[M]+ 265.13555 165.3
[M]- 265.13665 165.3
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.