CID 203659

Lj 1169

Structural Information

Molecular Formula
C13H17Cl2N3O4S
SMILES
CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(Cl)Cl
InChI
InChI=1S/C13H17Cl2N3O4S/c1-2-3-8-16-13(20)18-23(21,22)10-6-4-9(5-7-10)17-12(19)11(14)15/h4-7,11H,2-3,8H2,1H3,(H,17,19)(H2,16,18,20)
InChIKey
GCXJWRPEDSQMEE-UHFFFAOYSA-N
Compound name
N-[4-(butylcarbamoylsulfamoyl)phenyl]-2,2-dichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.03168 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.03896 181.1
[M+Na]+ 404.02090 186.0
[M-H]- 380.02440 184.1
[M+NH4]+ 399.06550 193.6
[M+K]+ 419.99484 180.8
[M+H-H2O]+ 364.02894 176.1
[M+HCOO]- 426.02988 189.7
[M+CH3COO]- 440.04553 217.1
[M+Na-2H]- 402.00635 182.0
[M]+ 381.03113 186.1
[M]- 381.03223 186.1
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.