CID 215798

36287-50-0

Structural Information

Molecular Formula
C17H18N2O3S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)N2CC(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2O3S/c1-12-9-15(23(18,21)22)7-8-16(12)19-11-14(10-17(19)20)13-5-3-2-4-6-13/h2-9,14H,10-11H2,1H3,(H2,18,21,22)
InChIKey
OTUMEMFZQZQKRN-UHFFFAOYSA-N
Compound name
3-methyl-4-(2-oxo-4-phenylpyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.10382 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.111096 176.6
[M+Na]+ 353.093038 185.1
[M-H]- 329.096544 185.3
[M+NH4]+ 348.137643 191.0
[M+K]+ 369.066978 179.6
[M+H-H2O]+ 313.101080 169.0
[M+HCOO]- 375.102021 193.0
[M+CH3COO]- 389.117671 207.2
[M+Na-2H]- 351.078486 176.2
[M]+ 330.10327142 176.7
[M]- 330.10436858 176.7
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