CID 2555963

101730-55-6

Structural Information

Molecular Formula
C18H19NO4S
SMILES
C1CN(CCC1(C2=CC=CC=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO4S/c20-17(21)18(15-7-3-1-4-8-15)11-13-19(14-12-18)24(22,23)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21)
InChIKey
BPUOHSNLBQSJJC-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

345.1035 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11078 179.2
[M+Na]+ 368.09272 184.3
[M-H]- 344.09622 185.3
[M+NH4]+ 363.13732 191.6
[M+K]+ 384.06666 179.7
[M+H-H2O]+ 328.10076 170.9
[M+HCOO]- 390.10170 190.3
[M+CH3COO]- 404.11735 202.9
[M+Na-2H]- 366.07817 182.5
[M]+ 345.10295 177.0
[M]- 345.10405 177.0
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.