CID 511962

N-[2-(4-chlorophenyl)ethyl]-5-methylsulfonyl-pyridin-2-amine

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₂S

SMILES

CS(=O)(=O)C1=CN=C(C=C1)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2O2S/c1-20(18,19)13-6-7-14(17-10-13)16-9-8-11-2-4-12(15)5-3-11/h2-7,10H,8-9H2,1H3,(H,16,17)

InChIKey

KGXMTGWKVRKWAV-UHFFFAOYSA-N

Compound name

N-[2-(4-chlorophenyl)ethyl]-5-methylsulfonylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 310.0543 Da
Monoisotopic Mass: 3.0
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]+	311.061576	167.5
[M+Na]+	333.043518	176.7
[M-H]-	309.047024	173.3
[M+NH4]+	328.088123	182.2
[M+K]+	349.017458	170.3
[M+H-H2O]+	293.051560	160.3
[M+HCOO]-	355.052501	181.1
[M+CH3COO]-	369.068151	202.1
[M+Na-2H]-	331.028966	172.0
[M]+	310.05375142	172.2
[M]-	310.05484858	172.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.