CID 3049667

65116-57-6

Structural Information

Molecular Formula
C17H16N2O5S
SMILES
COC1=C(C=CC(=C1)S(=O)(=O)N)N2C(=O)CC(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O5S/c1-24-15-9-12(25(18,22)23)7-8-14(15)19-16(20)10-13(17(19)21)11-5-3-2-4-6-11/h2-9,13H,10H2,1H3,(H2,18,22,23)
InChIKey
VFWNZERMYDGNKC-UHFFFAOYSA-N
Compound name
4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-3-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.078 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08528 181.9
[M+Na]+ 383.06722 190.7
[M-H]- 359.07072 190.9
[M+NH4]+ 378.11182 194.8
[M+K]+ 399.04116 186.1
[M+H-H2O]+ 343.07526 174.2
[M+HCOO]- 405.07620 198.7
[M+CH3COO]- 419.09185 212.3
[M+Na-2H]- 381.05267 181.4
[M]+ 360.07745 184.4
[M]- 360.07855 184.4
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.