CID 2887394

2-ph-n-(2,2,2-trichloro-1-(((2,5-dimethoxyanilino)carbothioyl)amino)et)acetamide

Structural Information

Molecular Formula
C19H20Cl3N3O3S
SMILES
COC1=CC(=C(C=C1)OC)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C19H20Cl3N3O3S/c1-27-13-8-9-15(28-2)14(11-13)23-18(29)25-17(19(20,21)22)24-16(26)10-12-6-4-3-5-7-12/h3-9,11,17H,10H2,1-2H3,(H,24,26)(H2,23,25,29)
InChIKey
ZCMFHJILOIWTQF-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-[(2,5-dimethoxyphenyl)carbamothioylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.02908 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.03636 210.6
[M+Na]+ 498.01830 220.4
[M+NH4]+ 493.06290 216.2
[M+K]+ 513.99224 211.8
[M-H]- 474.02180 213.3
[M+Na-2H]- 496.00375 215.7
[M]+ 475.02853 213.8
[M]- 475.02963 213.8
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.