CID 3059892

77391-58-3

Structural Information

Molecular Formula
C16H19NO4S
SMILES
C1CCC(CC1)S(=O)(=O)C2CC(=O)N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19NO4S/c18-15-11-14(22(20,21)13-9-5-2-6-10-13)16(19)17(15)12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey
FIVIUAMQNIPFDP-UHFFFAOYSA-N
Compound name
3-cyclohexylsulfonyl-1-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

321.1035 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11078 174.0
[M+Na]+ 344.09272 180.0
[M-H]- 320.09622 181.9
[M+NH4]+ 339.13732 188.7
[M+K]+ 360.06666 175.9
[M+H-H2O]+ 304.10076 166.8
[M+HCOO]- 366.10170 186.6
[M+CH3COO]- 380.11735 201.0
[M+Na-2H]- 342.07817 172.4
[M]+ 321.10295 171.6
[M]- 321.10405 171.6
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