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]+ 360.10124 181.4
[M+Na]+ 382.08318 190.5
[M-H]- 358.08668 189.9
[M+NH4]+ 377.12778 195.9
[M+K]+ 398.05712 185.2
[M+H-H2O]+ 342.09122 174.3
[M+HCOO]- 404.09216 198.3
[M+CH3COO]- 418.10781 214.3
[M+Na-2H]- 380.06863 182.3
[M]+ 359.09341 181.3
[M]- 359.09451 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.