CID 4778221

442124-65-4

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃S

SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N

InChI

InChI=1S/C12H18N2O3S/c1-17-11-2-4-12(5-3-11)18(15,16)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3

InChIKey

BGTORACXJFLSNT-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)sulfonylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 270.10382 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.11110	158.9
[M+Na]+	293.09304	169.1
[M+NH4]+	288.13764	166.0
[M+K]+	309.06698	162.4
[M-H]-	269.09654	161.3
[M+Na-2H]-	291.07849	164.5
[M]+	270.10327	161.3
[M]-	270.10437	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe