CID 200431

2076-70-2

Structural Information

Molecular Formula

C₁₄H₁₂N₂S

SMILES

CSC1=CC=C(C=C1)C2=CN3C=CC=CC3=N2

InChI

InChI=1S/C14H12N2S/c1-17-12-7-5-11(6-8-12)13-10-16-9-3-2-4-14(16)15-13/h2-10H,1H3

InChIKey

NISWESXIUAVSRQ-UHFFFAOYSA-N

Compound name

2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.07211 Da
Monoisotopic Mass: 3.9
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]+	241.07939	150.9
[M+Na]+	263.06133	167.7
[M+NH4]+	258.10593	161.3
[M+K]+	279.03527	158.2
[M-H]-	239.06483	156.2
[M+Na-2H]-	261.04678	160.9
[M]+	240.07156	155.6
[M]-	240.07266	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe