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 164.9
[M+Na]+ 309.06682 177.6
[M-H]- 285.07032 171.7
[M+NH4]+ 304.11142 182.0
[M+K]+ 325.04076 172.2
[M+H-H2O]+ 269.07486 157.8
[M+HCOO]- 331.07580 182.7
[M+CH3COO]- 345.09145 178.1
[M+Na-2H]- 307.05227 169.4
[M]+ 286.07705 170.9
[M]- 286.07815 170.9
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

patents stripe