CID 3049666

65116-56-5

Structural Information

Molecular Formula
C17H16N2O4S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)N2C(=O)CC(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O4S/c1-11-9-13(24(18,22)23)7-8-15(11)19-16(20)10-14(17(19)21)12-5-3-2-4-6-12/h2-9,14H,10H2,1H3,(H2,18,22,23)
InChIKey
KJAONIRRWTZXAU-UHFFFAOYSA-N
Compound name
4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-3-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.08307 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09035 179.1
[M+Na]+ 367.07229 188.3
[M-H]- 343.07579 188.1
[M+NH4]+ 362.11689 192.9
[M+K]+ 383.04623 182.9
[M+H-H2O]+ 327.08033 171.6
[M+HCOO]- 389.08127 195.7
[M+CH3COO]- 403.09692 210.0
[M+Na-2H]- 365.05774 178.2
[M]+ 344.08252 180.2
[M]- 344.08362 180.2
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.