CID 3055082

72017-53-9

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂S

SMILES

CN(C)CC1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H19N3O2S/c1-19(2)12-15-17(18-16-6-4-5-11-20(15)16)13-7-9-14(10-8-13)23(3,21)22/h4-11H,12H2,1-3H3

InChIKey

YXKKGAOLYRQCKH-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.1198 Da
Monoisotopic Mass: 2.5
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]+	330.127076	177.2
[M+Na]+	352.109018	187.9
[M-H]-	328.112524	184.9
[M+NH4]+	347.153623	192.7
[M+K]+	368.082958	183.4
[M+H-H2O]+	312.117060	169.1
[M+HCOO]-	374.118001	195.6
[M+CH3COO]-	388.133651	211.8
[M+Na-2H]-	350.094466	180.9
[M]+	329.11925142	184.4
[M]-	329.12034858	184.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.