CID 2830068

294658-19-8

Structural Information

Molecular Formula
C19H20Cl3N3O2S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C19H20Cl3N3O2S/c1-2-27-15-10-8-14(9-11-15)23-18(28)25-17(19(20,21)22)24-16(26)12-13-6-4-3-5-7-13/h3-11,17H,2,12H2,1H3,(H,24,26)(H2,23,25,28)
InChIKey
PZUINKUJNDVCSO-UHFFFAOYSA-N
Compound name
2-phenyl-N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.03418 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.041456 200.4
[M+Na]+ 482.023398 204.3
[M-H]- 458.026904 204.9
[M+NH4]+ 477.068003 210.1
[M+K]+ 497.997338 197.3
[M+H-H2O]+ 442.031440 195.0
[M+HCOO]- 504.032381 202.9
[M+CH3COO]- 518.048031 230.9
[M+Na-2H]- 480.008846 200.3
[M]+ 459.03363142 204.8
[M]- 459.03472858 204.8
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.