CID 3086720

Brn 4760183

Structural Information

Molecular Formula
C16H21NO4S
SMILES
C1CCC(CC1)OC2CCC(=O)N2S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H21NO4S/c18-15-11-12-16(21-13-7-3-1-4-8-13)17(15)22(19,20)14-9-5-2-6-10-14/h2,5-6,9-10,13,16H,1,3-4,7-8,11-12H2
InChIKey
OBGKNAPKHCFUJO-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-cyclohexyloxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12642 174.9
[M+Na]+ 346.10836 179.7
[M-H]- 322.11186 182.4
[M+NH4]+ 341.15296 189.3
[M+K]+ 362.08230 176.2
[M+H-H2O]+ 306.11640 167.3
[M+HCOO]- 368.11734 187.3
[M+CH3COO]- 382.13299 200.6
[M+Na-2H]- 344.09381 173.9
[M]+ 323.11859 172.7
[M]- 323.11969 172.7
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

No patent data available for this compound.