CID 4343196

N-(2,2,2-tri-cl-1-(((2,6-dibromo-4-methylanilino)carbothioyl)amino)et)benzamide

Structural Information

Molecular Formula
C17H14Br2Cl3N3OS
SMILES
CC1=CC(=C(C(=C1)Br)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2)Br
InChI
InChI=1S/C17H14Br2Cl3N3OS/c1-9-7-11(18)13(12(19)8-9)23-16(27)25-15(17(20,21)22)24-14(26)10-5-3-2-4-6-10/h2-8,15H,1H3,(H,24,26)(H2,23,25,27)
InChIKey
DBXHXZCEYKJSDS-UHFFFAOYSA-N
Compound name
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

570.829 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.83628 184.7
[M+Na]+ 593.81822 180.1
[M+NH4]+ 588.86282 186.0
[M+K]+ 609.79216 183.9
[M-H]- 569.82172 186.3
[M+Na-2H]- 591.80367 186.0
[M]+ 570.82845 184.2
[M]- 570.82955 184.2
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.