CID 204936

17100-94-6

Structural Information

Molecular Formula
C13H15ClN2O4S
SMILES
CCC1(CC(=O)N(C1=O)C2=C(C=C(C=C2)S(=O)(=O)N)Cl)C
InChI
InChI=1S/C13H15ClN2O4S/c1-3-13(2)7-11(17)16(12(13)18)10-5-4-8(6-9(10)14)21(15,19)20/h4-6H,3,7H2,1-2H3,(H2,15,19,20)
InChIKey
HTLAEUIMUGFLOB-UHFFFAOYSA-N
Compound name
3-chloro-4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0441 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.05138 172.5
[M+Na]+ 353.03332 182.7
[M+NH4]+ 348.07792 179.5
[M+K]+ 369.00726 176.3
[M-H]- 329.03682 173.1
[M+Na-2H]- 351.01877 177.2
[M]+ 330.04355 174.7
[M]- 330.04465 174.7
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.