CID 215704

36090-44-5

Structural Information

Molecular Formula
C17H18N2O3S
SMILES
CC1(CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2O3S/c1-17(13-5-3-2-4-6-13)11-16(20)19(12-17)14-7-9-15(10-8-14)23(18,21)22/h2-10H,11-12H2,1H3,(H2,18,21,22)
InChIKey
FOQXSGPUSBWMQZ-UHFFFAOYSA-N
Compound name
4-(4-methyl-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.111096 176.0
[M+Na]+ 353.093038 184.5
[M-H]- 329.096544 184.5
[M+NH4]+ 348.137643 192.1
[M+K]+ 369.066978 179.4
[M+H-H2O]+ 313.101080 168.7
[M+HCOO]- 375.102021 192.4
[M+CH3COO]- 389.117671 205.4
[M+Na-2H]- 351.078486 177.8
[M]+ 330.10327142 176.1
[M]- 330.10436858 176.1
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