CID 41792

114864-92-5

Structural Information

Molecular Formula
C10H14N4O3S
SMILES
CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C10H14N4O3S/c1-12-6-7(11-9(12)18-5-4-15)13(2)10(17)14(3)8(6)16/h15H,4-5H2,1-3H3
InChIKey
REVYYWXIURTZMT-UHFFFAOYSA-N
Compound name
8-(2-hydroxyethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.07867 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08595 163.1
[M+Na]+ 293.06789 176.5
[M+NH4]+ 288.11249 168.4
[M+K]+ 309.04183 171.2
[M-H]- 269.07139 161.6
[M+Na-2H]- 291.05334 165.2
[M]+ 270.07812 164.8
[M]- 270.07922 164.8
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

patents stripe