CID 9579543

[(e)-(4-bromo-3-methyl-isothiazol-5-yl)methyleneamino]urea

Structural Information

Molecular Formula
C6H7BrN4OS
SMILES
CC1=NSC(=C1Br)/C=N/NC(=O)N
InChI
InChI=1S/C6H7BrN4OS/c1-3-5(7)4(13-11-3)2-9-10-6(8)12/h2H,1H3,(H3,8,10,12)/b9-2+
InChIKey
XGJKOYJKHJJXCC-XNWCZRBMSA-N
Compound name
[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9524 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.95968 138.9
[M+Na]+ 284.94162 151.0
[M-H]- 260.94512 145.4
[M+NH4]+ 279.98622 160.0
[M+K]+ 300.91556 138.9
[M+H-H2O]+ 244.94966 136.6
[M+HCOO]- 306.95060 159.4
[M+CH3COO]- 320.96625 197.1
[M+Na-2H]- 282.92707 143.2
[M]+ 261.95185 157.9
[M]- 261.95295 157.9
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.