CID 163901

113267-96-2

Structural Information

Molecular Formula

C₁₄H₁₅FN₂O₂S

SMILES

CC(C1=CN=CC=C1)N(C2=CC=C(C=C2)F)S(=O)(=O)C

InChI

InChI=1S/C14H15FN2O2S/c1-11(12-4-3-9-16-10-12)17(20(2,18)19)14-7-5-13(15)6-8-14/h3-11H,1-2H3

InChIKey

YCUSIGUTUZFAHW-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)-N-(1-pyridin-3-ylethyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 294.08383 Da
Monoisotopic Mass: 2.0
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]+	295.091106	163.4
[M+Na]+	317.073048	171.0
[M-H]-	293.076554	169.1
[M+NH4]+	312.117653	178.0
[M+K]+	333.046988	167.5
[M+H-H2O]+	277.081090	154.3
[M+HCOO]-	339.082031	180.0
[M+CH3COO]-	353.097681	204.1
[M+Na-2H]-	315.058496	166.9
[M]+	294.08328142	165.4
[M]-	294.08437858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe