CID 21293090

81074-83-1

Structural Information

Molecular Formula
C2H4N4OS
SMILES
C1(=NS(=O)N=C1N)N
InChI
InChI=1S/C2H4N4OS/c3-1-2(4)6-8(7)5-1/h(H2,3,5)(H2,4,6)
InChIKey
QLKJZSNKNPNUNN-UHFFFAOYSA-N
Compound name
1-oxo-1,2,5-thiadiazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

132.01057 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.017846 120.1
[M+Na]+ 154.999788 131.2
[M-H]- 131.003294 121.6
[M+NH4]+ 150.044393 141.1
[M+K]+ 170.973728 128.8
[M+H-H2O]+ 115.007830 113.7
[M+HCOO]- 177.008771 140.8
[M+CH3COO]- 191.024421 171.5
[M+Na-2H]- 152.985236 123.3
[M]+ 132.01002142 119.3
[M]- 132.01111858 119.3
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

patents stripe