CID 97246

Nsc 107693

Structural Information

Molecular Formula
C5H4N6O2S2
SMILES
C1(C(=O)NC(=O)N=N1)SC2=NN=C(S2)N
InChI
InChI=1S/C5H4N6O2S2/c6-3-9-11-5(15-3)14-2-1(12)7-4(13)10-8-2/h2H,(H2,6,9)(H,7,12,13)
InChIKey
SGBBYMMMVLQXHS-UHFFFAOYSA-N
Compound name
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-6H-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99100 147.0
[M+Na]+ 266.97294 158.4
[M-H]- 242.97644 146.5
[M+NH4]+ 262.01754 159.5
[M+K]+ 282.94688 152.3
[M+H-H2O]+ 226.98098 140.1
[M+HCOO]- 288.98192 155.3
[M+CH3COO]- 302.99757 157.6
[M+Na-2H]- 264.95839 146.6
[M]+ 243.98317 145.8
[M]- 243.98427 145.8
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.