CID 21293090

Diamino-1lambda4,2,5-thiadiazol-1-one

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

14
Patents

132.01057 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.01785 120.1
[M+Na]+ 154.99979 131.2
[M-H]- 131.00329 121.6
[M+NH4]+ 150.04439 141.1
[M+K]+ 170.97373 128.8
[M+H-H2O]+ 115.00783 113.7
[M+HCOO]- 177.00877 140.8
[M+CH3COO]- 191.02442 171.5
[M+Na-2H]- 152.98524 123.3
[M]+ 132.01002 119.3
[M]- 132.01112 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