CID 4146943

324546-68-1

Structural Information

Molecular Formula
C14H15Cl3N4O3S2
SMILES
CCC(=O)NC(C(Cl)(Cl)Cl)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2
InChI
InChI=1S/C14H15Cl3N4O3S2/c1-2-11(22)20-12(14(15,16)17)19-9-3-5-10(6-4-9)26(23,24)21-13-18-7-8-25-13/h3-8,12,19H,2H2,1H3,(H,18,21)(H,20,22)
InChIKey
MMSMPPMQQXJKMM-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

455.96512 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.97240 204.6
[M+Na]+ 478.95434 211.9
[M+NH4]+ 473.99894 209.5
[M+K]+ 494.92828 205.0
[M-H]- 454.95784 205.2
[M+Na-2H]- 476.93979 208.2
[M]+ 455.96457 207.0
[M]- 455.96567 207.0
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.