CID 76840

Brn 0896042

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₃S

SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-23(21,22)12-7-5-11(6-8-12)16-13(10-14(17)20)19-9-3-2-4-15(19)18-16/h2-9H,10H2,1H3,(H2,17,20)

InChIKey

DTYGEAKGUGEGKX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.0834 Da
Monoisotopic Mass: 0.4
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]+	330.090676	175.6
[M+Na]+	352.072618	186.3
[M-H]-	328.076124	181.5
[M+NH4]+	347.117223	189.9
[M+K]+	368.046558	180.8
[M+H-H2O]+	312.080660	168.0
[M+HCOO]-	374.081601	192.6
[M+CH3COO]-	388.097251	207.3
[M+Na-2H]-	350.058066	178.8
[M]+	329.08285142	180.3
[M]-	329.08394858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.