CID 2898242

380175-73-5

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]+ 460.041456 201.0
[M+Na]+ 482.023398 205.6
[M-H]- 458.026904 205.8
[M+NH4]+ 477.068003 210.9
[M+K]+ 497.997338 198.7
[M+H-H2O]+ 442.031440 195.7
[M+HCOO]- 504.032381 203.4
[M+CH3COO]- 518.048031 232.1
[M+Na-2H]- 480.008846 200.1
[M]+ 459.03363142 205.7
[M]- 459.03472858 205.7
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.