CID 3049663

65116-24-7

Structural Information

Molecular Formula
C14H18N2O4S
SMILES
CCCC1C(C(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C
InChI
InChI=1S/C14H18N2O4S/c1-3-4-12-9(2)13(17)16(14(12)18)10-5-7-11(8-6-10)21(15,19)20/h5-9,12H,3-4H2,1-2H3,(H2,15,19,20)
InChIKey
ILQSRBLEIUSHTA-UHFFFAOYSA-N
Compound name
4-(3-methyl-2,5-dioxo-4-propylpyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.09872 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10600 170.0
[M+Na]+ 333.08794 179.1
[M-H]- 309.09144 175.8
[M+NH4]+ 328.13254 185.7
[M+K]+ 349.06188 174.8
[M+H-H2O]+ 293.09598 163.7
[M+HCOO]- 355.09692 186.1
[M+CH3COO]- 369.11257 204.9
[M+Na-2H]- 331.07339 168.3
[M]+ 310.09817 172.6
[M]- 310.09927 172.6
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

patents stripe