CID 138753634

Orm

Structural Information

Molecular Formula
C11H15ClN2O3S2
SMILES
CC(C)NS(=O)(=O)C1=C(C=CC(=C1)NC(=O)CS)Cl
InChI
InChI=1S/C11H15ClN2O3S2/c1-7(2)14-19(16,17)10-5-8(3-4-9(10)12)13-11(15)6-18/h3-5,7,14,18H,6H2,1-2H3,(H,13,15)
InChIKey
LTYIUMIDCYCKCP-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(propan-2-ylsulfamoyl)phenyl]-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.02127 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.02855 167.1
[M+Na]+ 345.01049 173.7
[M-H]- 321.01399 170.4
[M+NH4]+ 340.05509 182.1
[M+K]+ 360.98443 167.9
[M+H-H2O]+ 305.01853 161.6
[M+HCOO]- 367.01947 174.6
[M+CH3COO]- 381.03512 206.5
[M+Na-2H]- 342.99594 167.6
[M]+ 322.02072 171.7
[M]- 322.02182 171.7
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.