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

1
Patents

330.10382 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11110 176.6
[M+Na]+ 353.09304 185.1
[M-H]- 329.09654 185.3
[M+NH4]+ 348.13764 191.0
[M+K]+ 369.06698 179.6
[M+H-H2O]+ 313.10108 169.0
[M+HCOO]- 375.10202 193.0
[M+CH3COO]- 389.11767 207.2
[M+Na-2H]- 351.07849 176.2
[M]+ 330.10327 176.7
[M]- 330.10437 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