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]+ 311.10600 168.2
[M+Na]+ 333.08794 177.4
[M-H]- 309.09144 173.8
[M+NH4]+ 328.13254 185.7
[M+K]+ 349.06188 173.4
[M+H-H2O]+ 293.09598 162.7
[M+HCOO]- 355.09692 184.4
[M+CH3COO]- 369.11257 203.1
[M+Na-2H]- 331.07339 169.0
[M]+ 310.09817 170.9
[M]- 310.09927 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.