CID 44438048

Chembl245631

Structural Information

Molecular Formula
C24H24N2OS
SMILES
CC1=CN2C(=CN=C2C(=C1)C3=CC(=CC=C3)OC)CSCCC4=CC=CC=C4
InChI
InChI=1S/C24H24N2OS/c1-18-13-23(20-9-6-10-22(14-20)27-2)24-25-15-21(26(24)16-18)17-28-12-11-19-7-4-3-5-8-19/h3-10,13-16H,11-12,17H2,1-2H3
InChIKey
ZTSAZTJNWQDANL-UHFFFAOYSA-N
Compound name
8-(3-methoxyphenyl)-6-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.16095 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16823 195.1
[M+Na]+ 411.15017 205.3
[M-H]- 387.15367 203.7
[M+NH4]+ 406.19477 207.7
[M+K]+ 427.12411 197.3
[M+H-H2O]+ 371.15821 185.2
[M+HCOO]- 433.15915 212.1
[M+CH3COO]- 447.17480 205.5
[M+Na-2H]- 409.13562 195.6
[M]+ 388.16040 202.1
[M]- 388.16150 202.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.