CID 73004

74039-27-3

Structural Information

Molecular Formula
C7H9N5O2S2
SMILES
CN1C=NS(=O)(=O)C2=C(N=C(N=C21)SC)N
InChI
InChI=1S/C7H9N5O2S2/c1-12-3-9-16(13,14)4-5(8)10-7(15-2)11-6(4)12/h3H,1-2H3,(H2,8,10,11)
InChIKey
IHMDDIHFHVUQEH-UHFFFAOYSA-N
Compound name
4-methyl-6-methylsulfanyl-1,1-dioxopyrimido[4,5-e][1,2,4]thiadiazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

259.01978 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02706 148.3
[M+Na]+ 282.00900 161.1
[M-H]- 258.01250 147.6
[M+NH4]+ 277.05360 163.6
[M+K]+ 297.98294 155.4
[M+H-H2O]+ 242.01704 142.2
[M+HCOO]- 304.01798 157.1
[M+CH3COO]- 318.03363 159.7
[M+Na-2H]- 279.99445 153.2
[M]+ 259.01923 151.6
[M]- 259.02033 151.6
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.