CID 2887414

N-(2,2,2-trichloro-1-(((mesitylamino)carbothioyl)amino)ethyl)benzamide

Structural Information

Molecular Formula
C19H20Cl3N3OS
SMILES
CC1=CC(=C(C(=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C19H20Cl3N3OS/c1-11-9-12(2)15(13(3)10-11)23-18(27)25-17(19(20,21)22)24-16(26)14-7-5-4-6-8-14/h4-10,17H,1-3H3,(H,24,26)(H2,23,25,27)
InChIKey
GMUWTCFDEBOQKF-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-[(2,4,6-trimethylphenyl)carbamothioylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

443.03928 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.04656 199.2
[M+Na]+ 466.02850 204.8
[M-H]- 442.03200 204.3
[M+NH4]+ 461.07310 210.1
[M+K]+ 482.00244 197.3
[M+H-H2O]+ 426.03654 194.3
[M+HCOO]- 488.03748 201.3
[M+CH3COO]- 502.05313 231.3
[M+Na-2H]- 464.01395 197.3
[M]+ 443.03873 202.9
[M]- 443.03983 202.9
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.