CID 4836126

795287-66-0

Structural Information

Molecular Formula
C18H20Cl2N2O3S2
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=O)CCl
InChI
InChI=1S/C18H20Cl2N2O3S2/c1-3-22(4-2)27(24,25)15-9-10-17(16(11-15)21-18(23)12-19)26-14-7-5-13(20)6-8-14/h5-11H,3-4,12H2,1-2H3,(H,21,23)
InChIKey
GEZSYVDHONHARV-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-chlorophenyl)sulfanyl-5-(diethylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.02924 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.03652 196.5
[M+Na]+ 469.01846 203.2
[M-H]- 445.02196 203.7
[M+NH4]+ 464.06306 207.8
[M+K]+ 484.99240 195.9
[M+H-H2O]+ 429.02650 190.4
[M+HCOO]- 491.02744 200.4
[M+CH3COO]- 505.04309 229.9
[M+Na-2H]- 467.00391 196.3
[M]+ 446.02869 204.9
[M]- 446.02979 204.9
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.