CID 201125

3323-08-8

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
CC1=CC=CC2=NC(=CN12)C3=CC=C(C=C3)S(=O)(=O)C
InChI
InChI=1S/C15H14N2O2S/c1-11-4-3-5-15-16-14(10-17(11)15)12-6-8-13(9-7-12)20(2,18)19/h3-10H,1-2H3
InChIKey
XDYDIUNCQZIDRL-UHFFFAOYSA-N
Compound name
5-methyl-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 164.0
[M+Na]+ 309.06682 179.5
[M+NH4]+ 304.11142 172.3
[M+K]+ 325.04076 172.1
[M-H]- 285.07032 167.2
[M+Na-2H]- 307.05227 172.2
[M]+ 286.07705 167.8
[M]- 286.07815 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.