CID 9570156

3683-67-8

Structural Information

Molecular Formula
C5H5IN4S2
SMILES
C1=NSC(=C1I)/C=N/NC(=S)N
InChI
InChI=1S/C5H5IN4S2/c6-3-1-9-12-4(3)2-8-10-5(7)11/h1-2H,(H3,7,10,11)/b8-2+
InChIKey
GPOWBSSOFMGMKT-KRXBUXKQSA-N
Compound name
[(E)-(4-iodo-1,2-thiazol-5-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.90005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.907326 153.6
[M+Na]+ 334.889268 155.0
[M-H]- 310.892774 150.2
[M+NH4]+ 329.933873 168.3
[M+K]+ 350.863208 156.4
[M+H-H2O]+ 294.897310 142.9
[M+HCOO]- 356.898251 165.3
[M+CH3COO]- 370.913901 196.9
[M+Na-2H]- 332.874716 142.5
[M]+ 311.89950142 150.4
[M]- 311.90059858 150.4
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.