CID 10400827

3-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)propane-1-sulfonamide

Structural Information

Molecular Formula
C11H12N2O4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCS(=O)(=O)N
InChI
InChI=1S/C11H12N2O4S/c12-18(16,17)7-3-6-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,6-7H2,(H2,12,16,17)
InChIKey
WKRSAGZLXVSWMX-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

268.0518 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05908 157.3
[M+Na]+ 291.04102 167.1
[M-H]- 267.04452 160.6
[M+NH4]+ 286.08562 175.5
[M+K]+ 307.01496 163.2
[M+H-H2O]+ 251.04906 151.8
[M+HCOO]- 313.05000 174.2
[M+CH3COO]- 327.06565 194.8
[M+Na-2H]- 289.02647 160.1
[M]+ 268.05125 160.8
[M]- 268.05235 160.8
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

patents stripe