CID 204937

17100-96-8

Structural Information

Molecular Formula
C14H17ClN2O4S
SMILES
CCC1(CC(=O)N(C1=O)C2=C(C=C(C=C2C)S(=O)(=O)N)Cl)C
InChI
InChI=1S/C14H17ClN2O4S/c1-4-14(3)7-11(18)17(13(14)19)12-8(2)5-9(6-10(12)15)22(16,20)21/h5-6H,4,7H2,1-3H3,(H2,16,20,21)
InChIKey
RPJOHCGHVVTLPD-UHFFFAOYSA-N
Compound name
3-chloro-4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-5-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.05975 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06703 173.4
[M+Na]+ 367.04897 184.6
[M-H]- 343.05247 179.7
[M+NH4]+ 362.09357 190.9
[M+K]+ 383.02291 179.2
[M+H-H2O]+ 327.05701 169.3
[M+HCOO]- 389.05795 184.9
[M+CH3COO]- 403.07360 209.4
[M+Na-2H]- 365.03442 172.7
[M]+ 344.05920 178.7
[M]- 344.06030 178.7
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.