CID 9570144

3683-44-1

Structural Information

Molecular Formula
C7H9BrN4S2
SMILES
CC1=NSC(=C1Br)/C(=N/NC(=S)N)/C
InChI
InChI=1S/C7H9BrN4S2/c1-3-5(8)6(14-12-3)4(2)10-11-7(9)13/h1-2H3,(H3,9,11,13)/b10-4+
InChIKey
MDPAYLQUTQMOLK-ONNFQVAWSA-N
Compound name
[(E)-1-(4-bromo-3-methyl-1,2-thiazol-5-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9452 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.95248 138.1
[M+Na]+ 314.93442 136.9
[M+NH4]+ 309.97902 142.3
[M+K]+ 330.90836 137.7
[M-H]- 290.93792 138.7
[M+Na-2H]- 312.91987 139.5
[M]+ 291.94465 137.3
[M]- 291.94575 137.3
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.