CID 5746930

80761-65-5

Structural Information

Molecular Formula
C7H4N8O2S
SMILES
C1=NN=C(S1)NC2=NC3=C(C(=O)NC(=O)N3)N=N2
InChI
InChI=1S/C7H4N8O2S/c16-4-2-3(10-6(17)11-4)9-5(14-13-2)12-7-15-8-1-18-7/h1H,(H3,9,10,11,12,14,15,16,17)
InChIKey
ZSMADBLMOUENAY-UHFFFAOYSA-N
Compound name
3-(1,3,4-thiadiazol-2-ylamino)-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0178 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02508 153.7
[M+Na]+ 287.00702 168.2
[M-H]- 263.01052 152.3
[M+NH4]+ 282.05162 163.1
[M+K]+ 302.98096 160.3
[M+H-H2O]+ 247.01506 145.5
[M+HCOO]- 309.01600 167.1
[M+CH3COO]- 323.03165 164.5
[M+Na-2H]- 284.99247 160.8
[M]+ 264.01725 155.5
[M]- 264.01835 155.5
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.