CID 1042562

302939-79-3

Structural Information

Molecular Formula
C17H19ClN2O4S
SMILES
C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O4S/c18-14-3-5-16(6-4-14)25(22,23)20-9-7-13(8-10-20)17(21)19-12-15-2-1-11-24-15/h1-6,11,13H,7-10,12H2,(H,19,21)
InChIKey
LETUQHBGUBCUTE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

382.0754 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08268 185.1
[M+Na]+ 405.06462 195.8
[M+NH4]+ 400.10922 191.5
[M+K]+ 421.03856 190.2
[M-H]- 381.06812 189.8
[M+Na-2H]- 403.05007 191.0
[M]+ 382.07485 188.4
[M]- 382.07595 188.4
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.