CID 3161248

726157-16-0

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃S

SMILES

COC1=C(C=C(C=C1)N)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C12H18N2O3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3

InChIKey

KQRVYEUKKGMVAB-UHFFFAOYSA-N

Compound name

4-methoxy-3-piperidin-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.10382 Da
Monoisotopic Mass: 1.2
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	159.4
[M+Na]+	293.09304	165.6
[M-H]-	269.09654	163.8
[M+NH4]+	288.13764	174.2
[M+K]+	309.06698	162.0
[M+H-H2O]+	253.10108	151.9
[M+HCOO]-	315.10202	173.5
[M+CH3COO]-	329.11767	195.1
[M+Na-2H]-	291.07849	161.8
[M]+	270.10327	157.7
[M]-	270.10437	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe