CID 19617626

Refchem:906361

Structural Information

Molecular Formula
C10H11Br2N3O2S
SMILES
COC1=C(C(=C(C(=C1)/C=N/NC(=S)N)Br)Br)OC
InChI
InChI=1S/C10H11Br2N3O2S/c1-16-6-3-5(4-14-15-10(13)18)7(11)8(12)9(6)17-2/h3-4H,1-2H3,(H3,13,15,18)/b14-4+
InChIKey
AEEVFFOEEWVLGF-LNKIKWGQSA-N
Compound name
[(E)-(2,3-dibromo-4,5-dimethoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

394.89386 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.90114 147.3
[M+Na]+ 417.88308 157.4
[M-H]- 393.88658 154.4
[M+NH4]+ 412.92768 163.3
[M+K]+ 433.85702 139.4
[M+H-H2O]+ 377.89112 151.4
[M+HCOO]- 439.89206 161.5
[M+CH3COO]- 453.90771 222.7
[M+Na-2H]- 415.86853 151.2
[M]+ 394.89331 182.6
[M]- 394.89441 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.