CID 3304444

3,4,5-trimethoxy-n-(2,2,2-trichloro-1-{[(2,6-dibromo-4-methoxyanilino)carbothioyl]amino}ethyl)benzamide

Structural Information

Molecular Formula
C20H20Br2Cl3N3O5S
SMILES
COC1=CC(=C(C(=C1)Br)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Br
InChI
InChI=1S/C20H20Br2Cl3N3O5S/c1-30-10-7-11(21)15(12(22)8-10)26-19(34)28-18(20(23,24)25)27-17(29)9-5-13(31-2)16(33-4)14(6-9)32-3/h5-8,18H,1-4H3,(H,27,29)(H2,26,28,34)
InChIKey
GEBHQHPYMQTXMM-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methoxyphenyl)carbamothioylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.8556 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.86288 201.8
[M+Na]+ 699.84482 196.3
[M+NH4]+ 694.88942 201.5
[M+K]+ 715.81876 200.8
[M-H]- 675.84832 202.3
[M+Na-2H]- 697.83027 201.2
[M]+ 676.85505 200.7
[M]- 676.85615 200.7
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.