CID 3883912

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

Structural Information

Molecular Formula
C20H20Br2Cl3N3O4S
SMILES
CC1=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/C20H20Br2Cl3N3O4S/c1-9-5-11(21)15(12(22)6-9)26-19(33)28-18(20(23,24)25)27-17(29)10-7-13(30-2)16(32-4)14(8-10)31-3/h5-8,18H,1-4H3,(H,27,29)(H2,26,28,33)
InChIKey
QRDLEEBSCSBAMO-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methylphenyl)carbamothioylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.8607 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.86798 199.9
[M+Na]+ 683.84992 194.7
[M+NH4]+ 678.89452 200.0
[M+K]+ 699.82386 199.0
[M-H]- 659.85342 200.7
[M+Na-2H]- 681.83537 199.6
[M]+ 660.86015 199.0
[M]- 660.86125 199.0
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.