CID 2887245

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

Structural Information

Molecular Formula
C19H20Cl3N3O3S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C19H20Cl3N3O3S/c1-3-28-14-9-7-13(8-10-14)23-18(29)25-17(19(20,21)22)24-16(26)12-5-4-6-15(11-12)27-2/h4-11,17H,3H2,1-2H3,(H,24,26)(H2,23,25,29)
InChIKey
KOIUFRUPVTZANS-UHFFFAOYSA-N
Compound name
3-methoxy-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

475.02908 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.03636 202.8
[M+Na]+ 498.01830 207.2
[M-H]- 474.02180 207.7
[M+NH4]+ 493.06290 212.0
[M+K]+ 513.99224 201.0
[M+H-H2O]+ 458.02634 197.5
[M+HCOO]- 520.02728 205.5
[M+CH3COO]- 534.04293 234.1
[M+Na-2H]- 496.00375 202.4
[M]+ 475.02853 208.9
[M]- 475.02963 208.9
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.