CID 201131

3323-18-0

Structural Information

Molecular Formula

C₁₉H₂₁N₃O₃S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CN4CCOCC4

InChI

InChI=1S/C19H21N3O3S/c1-26(23,24)16-7-5-15(6-8-16)19-17(14-21-10-12-25-13-11-21)22-9-3-2-4-18(22)20-19/h2-9H,10-14H2,1H3

InChIKey

YMABHLKEDWQFMN-UHFFFAOYSA-N

Compound name

4-[[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 371.13037 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]+	372.137646	186.8
[M+Na]+	394.119588	196.0
[M-H]-	370.123094	194.5
[M+NH4]+	389.164193	196.8
[M+K]+	410.093528	191.2
[M+H-H2O]+	354.127630	177.7
[M+HCOO]-	416.128571	198.5
[M+CH3COO]-	430.144221	196.7
[M+Na-2H]-	392.105036	189.3
[M]+	371.12982142	189.6
[M]-	371.13091858	189.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe