CID 9570152

3683-60-1

Structural Information

Molecular Formula
C6H8N4S2
SMILES
C/C(=N\NC(=S)N)/C1=CC=NS1
InChI
InChI=1S/C6H8N4S2/c1-4(9-10-6(7)11)5-2-3-8-12-5/h2-3H,1H3,(H3,7,10,11)/b9-4+
InChIKey
WGBBIYGJRACHBL-RUDMXATFSA-N
Compound name
[(E)-1-(1,2-thiazol-5-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

200.01904 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02632 140.0
[M+Na]+ 223.00826 147.2
[M-H]- 199.01176 143.1
[M+NH4]+ 218.05286 159.6
[M+K]+ 238.98220 143.5
[M+H-H2O]+ 183.01630 132.7
[M+HCOO]- 245.01724 155.5
[M+CH3COO]- 259.03289 188.8
[M+Na-2H]- 220.99371 140.6
[M]+ 200.01849 138.8
[M]- 200.01959 138.8
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.