CID 3586494

4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzenesulfonamide

Structural Information

Molecular Formula
C14H10N2O4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C14H10N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,15,19,20)
InChIKey
OUGLLSMFRGBCIL-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

36
Patents

302.03613 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.043406 165.9
[M+Na]+ 325.025348 176.7
[M-H]- 301.028854 173.0
[M+NH4]+ 320.069953 182.6
[M+K]+ 340.999288 171.8
[M+H-H2O]+ 285.033390 159.6
[M+HCOO]- 347.034331 183.4
[M+CH3COO]- 361.049981 201.1
[M+Na-2H]- 323.010796 169.0
[M]+ 302.03558142 168.6
[M]- 302.03667858 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe