CID 9554764

2002-05-3

Structural Information

Molecular Formula
C6H8N4S2
SMILES
CC1=C(SC=N1)/C=N/NC(=S)N
InChI
InChI=1S/C6H8N4S2/c1-4-5(12-3-8-4)2-9-10-6(7)11/h2-3H,1H3,(H3,7,10,11)/b9-2+
InChIKey
FORYNUTVFHUNRM-XNWCZRBMSA-N
Compound name
[(E)-(4-methyl-1,3-thiazol-5-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

200.01904 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02632 139.1
[M+Na]+ 223.00826 147.5
[M-H]- 199.01176 142.5
[M+NH4]+ 218.05286 159.1
[M+K]+ 238.98220 143.2
[M+H-H2O]+ 183.01630 132.0
[M+HCOO]- 245.01724 155.6
[M+CH3COO]- 259.03289 189.0
[M+Na-2H]- 220.99371 140.0
[M]+ 200.01849 138.9
[M]- 200.01959 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe