CID 2898242

2-me-n-(2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide

Structural Information

Molecular Formula
C19H20Cl3N3O2S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C19H20Cl3N3O2S/c1-3-27-14-10-8-13(9-11-14)23-18(28)25-17(19(20,21)22)24-16(26)15-7-5-4-6-12(15)2/h4-11,17H,3H2,1-2H3,(H,24,26)(H2,23,25,28)
InChIKey
JFAJNSPRATXRRJ-UHFFFAOYSA-N
Compound name
2-methyl-N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.03418 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.04146 208.8
[M+Na]+ 482.02340 219.1
[M+NH4]+ 477.06800 215.0
[M+K]+ 497.99734 209.9
[M-H]- 458.02690 212.0
[M+Na-2H]- 480.00885 214.2
[M]+ 459.03363 212.3
[M]- 459.03473 212.3
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.