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

10
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

patents stripe