CID 44438043

Chembl245428

Structural Information

Molecular Formula
C23H22N2OS
SMILES
CC1=CC(=CN2C1=NC=C2CSCCC3=CC=CC=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C23H22N2OS/c1-17-12-20(19-8-5-9-22(26)13-19)15-25-21(14-24-23(17)25)16-27-11-10-18-6-3-2-4-7-18/h2-9,12-15,26H,10-11,16H2,1H3
InChIKey
KVVJTUOANAOWPE-UHFFFAOYSA-N
Compound name
3-[8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridin-6-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.1453 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15258 189.9
[M+Na]+ 397.13452 200.2
[M-H]- 373.13802 197.5
[M+NH4]+ 392.17912 202.5
[M+K]+ 413.10846 191.6
[M+H-H2O]+ 357.14256 180.7
[M+HCOO]- 419.14350 206.0
[M+CH3COO]- 433.15915 200.2
[M+Na-2H]- 395.11997 190.9
[M]+ 374.14475 195.0
[M]- 374.14585 195.0
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.