CID 4349286

303062-28-4

Structural Information

Molecular Formula
C15H13BrCl3N3O3S
SMILES
COC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C15H13BrCl3N3O3S/c1-24-9-4-2-8(3-5-9)20-14(26)22-13(15(17,18)19)21-12(23)10-6-7-11(16)25-10/h2-7,13H,1H3,(H,21,23)(H2,20,22,26)
InChIKey
PGFZUCJHPOZAAR-UHFFFAOYSA-N
Compound name
5-bromo-N-[2,2,2-trichloro-1-[(4-methoxyphenyl)carbamothioylamino]ethyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.89267 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.89995 198.1
[M+Na]+ 521.88189 198.8
[M+NH4]+ 516.92649 200.7
[M+K]+ 537.85583 198.8
[M-H]- 497.88539 199.5
[M+Na-2H]- 519.86734 199.0
[M]+ 498.89212 198.3
[M]- 498.89322 198.3
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.