CID 4961623

794554-83-9

Structural Information

Molecular Formula
C15H20N2O5S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C15H20N2O5S/c1-3-16(4-2)23(21,22)13-7-5-12(6-8-13)17-10-11(15(19)20)9-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKey
XNCZUJCDBHKBLN-UHFFFAOYSA-N
Compound name
1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10928 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11656 176.6
[M+Na]+ 363.09850 182.6
[M-H]- 339.10200 182.1
[M+NH4]+ 358.14310 190.5
[M+K]+ 379.07244 180.2
[M+H-H2O]+ 323.10654 169.8
[M+HCOO]- 385.10748 191.3
[M+CH3COO]- 399.12313 209.9
[M+Na-2H]- 361.08395 175.2
[M]+ 340.10873 180.0
[M]- 340.10983 180.0
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.