CID 135746682

1-methyl-8-thiaxanthin

Structural Information

Molecular Formula
C5H4N4O2S
SMILES
CN1C(=O)C2=NSN=C2NC1=O
InChI
InChI=1S/C5H4N4O2S/c1-9-4(10)2-3(6-5(9)11)8-12-7-2/h1H3,(H,6,8,11)
InChIKey
YWDRAGNBHJMDSG-UHFFFAOYSA-N
Compound name
6-methyl-4H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0055 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01278 135.3
[M+Na]+ 206.99472 149.2
[M+NH4]+ 202.03932 142.1
[M+K]+ 222.96866 144.0
[M-H]- 182.99822 134.2
[M+Na-2H]- 204.98017 139.9
[M]+ 184.00495 137.2
[M]- 184.00605 137.2
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.