CID 98738

84255-02-7

Structural Information

Molecular Formula
C19H21NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C19H21NO4S/c1-15-7-9-17(10-8-15)25(23,24)20-13-11-19(12-14-20,18(21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22)
InChIKey
RUPQNAVADOVYKW-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

359.11914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12642 180.5
[M+Na]+ 382.10836 192.5
[M+NH4]+ 377.15296 188.4
[M+K]+ 398.08230 183.2
[M-H]- 358.11186 184.0
[M+Na-2H]- 380.09381 189.9
[M]+ 359.11859 183.8
[M]- 359.11969 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.