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 187.1
[M+Na]+ 405.06462 193.1
[M-H]- 381.06812 196.0
[M+NH4]+ 400.10922 198.5
[M+K]+ 421.03856 189.0
[M+H-H2O]+ 365.07266 179.8
[M+HCOO]- 427.07360 196.6
[M+CH3COO]- 441.08925 211.8
[M+Na-2H]- 403.05007 187.5
[M]+ 382.07485 189.3
[M]- 382.07595 189.3
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.