CID 9570157

Brn 4791557

Structural Information

Molecular Formula
C6H7BrN4S2
SMILES
C/C(=N\NC(=S)N)/C1=NSC=C1Br
InChI
InChI=1S/C6H7BrN4S2/c1-3(9-10-6(8)12)5-4(7)2-13-11-5/h2H,1H3,(H3,8,10,12)/b9-3+
InChIKey
USGNEMIKSHUWLJ-YCRREMRBSA-N
Compound name
[(E)-1-(4-bromo-1,2-thiazol-3-yl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.92953 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.93681 135.6
[M+Na]+ 300.91875 147.3
[M-H]- 276.92225 141.6
[M+NH4]+ 295.96335 156.1
[M+K]+ 316.89269 133.7
[M+H-H2O]+ 260.92679 133.6
[M+HCOO]- 322.92773 149.4
[M+CH3COO]- 336.94338 199.1
[M+Na-2H]- 298.90420 138.5
[M]+ 277.92898 153.1
[M]- 277.93008 153.1
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.