CID 3049673

Pb 197

Structural Information

Molecular Formula
C17H17N3O4S
SMILES
CC1(CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3N
InChI
InChI=1S/C17H17N3O4S/c1-17(13-4-2-3-5-14(13)18)10-15(21)20(16(17)22)11-6-8-12(9-7-11)25(19,23)24/h2-9H,10,18H2,1H3,(H2,19,23,24)
InChIKey
MSLPBEVRSZPQOJ-UHFFFAOYSA-N
Compound name
4-[3-(2-aminophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.09396 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.101236 181.4
[M+Na]+ 382.083178 190.5
[M-H]- 358.086684 189.9
[M+NH4]+ 377.127783 195.9
[M+K]+ 398.057118 185.2
[M+H-H2O]+ 342.091220 174.3
[M+HCOO]- 404.092161 198.3
[M+CH3COO]- 418.107811 214.3
[M+Na-2H]- 380.068626 182.3
[M]+ 359.09341142 181.3
[M]- 359.09450858 181.3
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.