CID 9579526

[(e)-(4-iodo-3-methyl-isothiazol-5-yl)methyleneamino]thiourea

Structural Information

Molecular Formula
C6H7IN4S2
SMILES
CC1=NSC(=C1I)/C=N/NC(=S)N
InChI
InChI=1S/C6H7IN4S2/c1-3-5(7)4(13-11-3)2-9-10-6(8)12/h2H,1H3,(H3,8,10,12)/b9-2+
InChIKey
VWWOUKFMJFVEOJ-XNWCZRBMSA-N
Compound name
[(E)-(4-iodo-3-methyl-1,2-thiazol-5-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.91568 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.92296 157.5
[M+Na]+ 348.90490 159.3
[M-H]- 324.90840 154.4
[M+NH4]+ 343.94950 172.0
[M+K]+ 364.87884 160.4
[M+H-H2O]+ 308.91294 146.9
[M+HCOO]- 370.91388 168.9
[M+CH3COO]- 384.92953 200.7
[M+Na-2H]- 346.89035 145.4
[M]+ 325.91513 155.1
[M]- 325.91623 155.1
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.