CID 2887254

Ethyl 2,2,2-trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethylcarbamate

Structural Information

Molecular Formula
C14H18Cl3N3O3S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OCC
InChI
InChI=1S/C14H18Cl3N3O3S/c1-3-22-10-7-5-9(6-8-10)18-12(24)19-11(14(15,16)17)20-13(21)23-4-2/h5-8,11H,3-4H2,1-2H3,(H,20,21)(H2,18,19,24)
InChIKey
KSUZFVDURMEBRW-UHFFFAOYSA-N
Compound name
ethyl N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

413.01346 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.02074 195.0
[M+Na]+ 436.00268 202.5
[M+NH4]+ 431.04728 200.2
[M+K]+ 451.97662 195.4
[M-H]- 412.00618 195.0
[M+Na-2H]- 433.98813 197.4
[M]+ 413.01291 196.9
[M]- 413.01401 196.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.