CID 3049662

65116-16-7

Structural Information

Molecular Formula
C14H18N2O4S
SMILES
CCCCC1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H18N2O4S/c1-2-3-4-10-9-13(17)16(14(10)18)11-5-7-12(8-6-11)21(15,19)20/h5-8,10H,2-4,9H2,1H3,(H2,15,19,20)
InChIKey
QYSUYYHFLZNFMK-UHFFFAOYSA-N
Compound name
4-(3-butyl-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.105996 170.4
[M+Na]+ 333.087938 178.7
[M-H]- 309.091444 175.8
[M+NH4]+ 328.132543 185.8
[M+K]+ 349.061878 174.3
[M+H-H2O]+ 293.095980 163.8
[M+HCOO]- 355.096921 186.6
[M+CH3COO]- 369.112571 203.6
[M+Na-2H]- 331.073386 169.3
[M]+ 310.09817142 172.5
[M]- 310.09926858 172.5
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.