CID 197350

153901-71-4

Structural Information

Molecular Formula
C12H19N5O2S
SMILES
CCOC(CN1C2=NC(=NC(=C2C=N1)N)SC)OCC
InChI
InChI=1S/C12H19N5O2S/c1-4-18-9(19-5-2)7-17-11-8(6-14-17)10(13)15-12(16-11)20-3/h6,9H,4-5,7H2,1-3H3,(H2,13,15,16)
InChIKey
OSMOVIPWSMFZII-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.12595 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13323 167.9
[M+Na]+ 320.11517 178.8
[M+NH4]+ 315.15977 173.6
[M+K]+ 336.08911 173.6
[M-H]- 296.11867 167.5
[M+Na-2H]- 318.10062 170.8
[M]+ 297.12540 169.5
[M]- 297.12650 169.5
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

No patent data available for this compound.