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]+ 269.059076 157.3
[M+Na]+ 291.041018 167.1
[M-H]- 267.044524 160.6
[M+NH4]+ 286.085623 175.5
[M+K]+ 307.014958 163.2
[M+H-H2O]+ 251.049060 151.8
[M+HCOO]- 313.050001 174.2
[M+CH3COO]- 327.065651 194.8
[M+Na-2H]- 289.026466 160.1
[M]+ 268.05125142 160.8
[M]- 268.05234858 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