CID 96963

1784-69-6

Structural Information

Molecular Formula
C8H10N4OS2
SMILES
CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SC
InChI
InChI=1S/C8H10N4OS2/c1-11-5-4(9-7(10-5)15-3)6(13)12(2)8(11)14/h1-3H3,(H,9,10)
InChIKey
YDGHQFFQQUAJHB-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-methylsulfanyl-2-sulfanylidene-7H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0296 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03688 147.4
[M+Na]+ 265.01882 163.1
[M-H]- 241.02232 147.5
[M+NH4]+ 260.06342 164.2
[M+K]+ 280.99276 156.1
[M+H-H2O]+ 225.02686 142.2
[M+HCOO]- 287.02780 157.6
[M+CH3COO]- 301.04345 160.3
[M+Na-2H]- 263.00427 147.6
[M]+ 242.02905 153.4
[M]- 242.03015 153.4
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.