CID 408602

60784-24-9

Structural Information

Molecular Formula
C6H12N4S2
SMILES
C(C=CCSC(=N)N)SC(=N)N
InChI
InChI=1S/C6H12N4S2/c7-5(8)11-3-1-2-4-12-6(9)10/h1-2H,3-4H2,(H3,7,8)(H3,9,10)
InChIKey
BUJIVJSWTZKBOZ-UHFFFAOYSA-N
Compound name
4-carbamimidoylsulfanylbut-2-enyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05034 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05762 141.4
[M+Na]+ 227.03956 145.2
[M-H]- 203.04306 139.5
[M+NH4]+ 222.08416 158.5
[M+K]+ 243.01350 139.6
[M+H-H2O]+ 187.04760 134.0
[M+HCOO]- 249.04854 153.9
[M+CH3COO]- 263.06419 191.4
[M+Na-2H]- 225.02501 140.2
[M]+ 204.04979 136.1
[M]- 204.05089 136.1
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.