CID 3049661

Pb 480

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
C=CCC1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C13H14N2O4S/c1-2-3-9-8-12(16)15(13(9)17)10-4-6-11(7-5-10)20(14,18)19/h2,4-7,9H,1,3,8H2,(H2,14,18,19)
InChIKey
QMMOKVIGIGLHCE-UHFFFAOYSA-N
Compound name
4-(2,5-dioxo-3-prop-2-enylpyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0674 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07468 165.3
[M+Na]+ 317.05662 174.4
[M-H]- 293.06012 170.9
[M+NH4]+ 312.10122 181.3
[M+K]+ 333.03056 169.6
[M+H-H2O]+ 277.06466 159.0
[M+HCOO]- 339.06560 182.0
[M+CH3COO]- 353.08125 199.8
[M+Na-2H]- 315.04207 164.7
[M]+ 294.06685 166.4
[M]- 294.06795 166.4
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.