CID 9579523

[(e)-(4-bromoisothiazol-5-yl)methyleneamino]thiourea

Structural Information

Molecular Formula
C5H5BrN4S2
SMILES
C1=NSC(=C1Br)/C=N/NC(=S)N
InChI
InChI=1S/C5H5BrN4S2/c6-3-1-9-12-4(3)2-8-10-5(7)11/h1-2H,(H3,7,10,11)/b8-2+
InChIKey
KBQGJWRTUPWFGV-KRXBUXKQSA-N
Compound name
[(E)-(4-bromo-1,2-thiazol-5-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.9139 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.92118 130.1
[M+Na]+ 286.90312 142.7
[M-H]- 262.90662 136.3
[M+NH4]+ 281.94772 151.3
[M+K]+ 302.87706 128.8
[M+H-H2O]+ 246.91116 128.3
[M+HCOO]- 308.91210 145.3
[M+CH3COO]- 322.92775 195.6
[M+Na-2H]- 284.88857 134.4
[M]+ 263.91335 147.9
[M]- 263.91445 147.9
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.