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 166.7
[M+Na]+ 320.11517 177.0
[M-H]- 296.11867 166.5
[M+NH4]+ 315.15977 180.3
[M+K]+ 336.08911 173.2
[M+H-H2O]+ 280.12321 158.5
[M+HCOO]- 342.12415 181.9
[M+CH3COO]- 356.13980 204.8
[M+Na-2H]- 318.10062 168.2
[M]+ 297.12540 174.7
[M]- 297.12650 174.7
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

No patent data available for this compound.