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 197.2
[M+Na]+ 478.95434 202.7
[M-H]- 454.95784 201.6
[M+NH4]+ 473.99894 207.5
[M+K]+ 494.92828 196.2
[M+H-H2O]+ 438.96238 192.4
[M+HCOO]- 500.96332 195.1
[M+CH3COO]- 514.97897 225.2
[M+Na-2H]- 476.93979 198.6
[M]+ 455.96457 201.6
[M]- 455.96567 201.6
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.