CID 204934

Pb 125

Structural Information

Molecular Formula
C14H18N2O4S
SMILES
CCC1(CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)CC
InChI
InChI=1S/C14H18N2O4S/c1-3-14(4-2)9-12(17)16(13(14)18)10-5-7-11(8-6-10)21(15,19)20/h5-8H,3-4,9H2,1-2H3,(H2,15,19,20)
InChIKey
TUKPBVQZUVYKRX-UHFFFAOYSA-N
Compound name
4-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09872 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.105996 168.2
[M+Na]+ 333.087938 177.4
[M-H]- 309.091444 173.8
[M+NH4]+ 328.132543 185.7
[M+K]+ 349.061878 173.4
[M+H-H2O]+ 293.095980 162.7
[M+HCOO]- 355.096921 184.4
[M+CH3COO]- 369.112571 203.1
[M+Na-2H]- 331.073386 169.0
[M]+ 310.09817142 170.9
[M]- 310.09926858 170.9
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.