CID 3114629

297146-32-8

Structural Information

Molecular Formula
C17H17Cl2N3O3S2
SMILES
CC1(C(C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C=C(Cl)Cl)C
InChI
InChI=1S/C17H17Cl2N3O3S2/c1-17(2)12(9-13(18)19)14(17)15(23)21-10-3-5-11(6-4-10)27(24,25)22-16-20-7-8-26-16/h3-9,12,14H,1-2H3,(H,20,22)(H,21,23)
InChIKey
USEOXMRMPRBGDU-UHFFFAOYSA-N
Compound name
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

445.00885 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.01613 182.6
[M+Na]+ 467.99807 190.8
[M-H]- 444.00157 190.5
[M+NH4]+ 463.04267 191.0
[M+K]+ 483.97201 183.4
[M+H-H2O]+ 428.00611 178.9
[M+HCOO]- 490.00705 186.0
[M+CH3COO]- 504.02270 225.3
[M+Na-2H]- 465.98352 183.5
[M]+ 445.00830 190.8
[M]- 445.00940 190.8
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.