CID 79611

4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C10H10N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2,(H2,11,15,16)
InChIKey
CXYJOKAZIWXRHN-UHFFFAOYSA-N
Compound name
4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

254.03613 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04341 153.3
[M+Na]+ 277.02535 162.6
[M-H]- 253.02885 159.1
[M+NH4]+ 272.06995 170.8
[M+K]+ 292.99929 159.0
[M+H-H2O]+ 237.03339 147.1
[M+HCOO]- 299.03433 170.9
[M+CH3COO]- 313.04998 190.3
[M+Na-2H]- 275.01080 154.7
[M]+ 254.03558 153.7
[M]- 254.03668 153.7
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