CID 98752

83863-40-5

Structural Information

Molecular Formula
C18H21NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H21NO3S/c1-15-7-9-17(10-8-15)23(21,22)19-13-11-18(20,12-14-19)16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3
InChIKey
HXIDISDSNWNESD-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1242 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.131476 176.8
[M+Na]+ 354.113418 183.2
[M-H]- 330.116924 183.3
[M+NH4]+ 349.158023 190.5
[M+K]+ 370.087358 178.0
[M+H-H2O]+ 314.121460 168.6
[M+HCOO]- 376.122401 188.6
[M+CH3COO]- 390.138051 201.8
[M+Na-2H]- 352.098866 180.2
[M]+ 331.12365142 174.9
[M]- 331.12474858 174.9
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.