CID 2066064

476481-77-3

Structural Information

Molecular Formula
C10H14N4O3S
SMILES
CCOCCN1C2=C(NC1=S)N(C(=O)NC2=O)C
InChI
InChI=1S/C10H14N4O3S/c1-3-17-5-4-14-6-7(11-10(14)18)13(2)9(16)12-8(6)15/h3-5H2,1-2H3,(H,11,18)(H,12,15,16)
InChIKey
YGKSNZDZBQJPTH-UHFFFAOYSA-N
Compound name
7-(2-ethoxyethyl)-3-methyl-8-sulfanylidene-9H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.07867 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08595 158.2
[M+Na]+ 293.06789 172.1
[M-H]- 269.07139 156.8
[M+NH4]+ 288.11249 172.5
[M+K]+ 309.04183 165.6
[M+H-H2O]+ 253.07593 151.7
[M+HCOO]- 315.07687 172.2
[M+CH3COO]- 329.09252 191.5
[M+Na-2H]- 291.05334 159.4
[M]+ 270.07812 164.2
[M]- 270.07922 164.2
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.