CID 511943

N,n-dimethyl-4-[(5-methylsulfonyl-2-pyridyl)methyl]aniline

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂S

SMILES

CN(C)C1=CC=C(C=C1)CC2=NC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C15H18N2O2S/c1-17(2)14-7-4-12(5-8-14)10-13-6-9-15(11-16-13)20(3,18)19/h4-9,11H,10H2,1-3H3

InChIKey

WGHYRWQBCXCFPD-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-[(5-methylsulfonyl-2-pyridinyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 290.1089 Da
Monoisotopic Mass: 2.2
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]+	291.116176	165.5
[M+Na]+	313.098118	173.8
[M-H]-	289.101624	172.7
[M+NH4]+	308.142723	180.7
[M+K]+	329.072058	170.1
[M+H-H2O]+	273.106160	157.2
[M+HCOO]-	335.107101	183.8
[M+CH3COO]-	349.122751	204.8
[M+Na-2H]-	311.083566	169.3
[M]+	290.10835142	169.8
[M]-	290.10944858	169.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.