CID 491427

3-(benzylsulfanylmethyl)-7-methyl-2-(4-pyridyl)imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C21H19N3S
SMILES
CC1=CC2=NC(=C(N2C=C1)CSCC3=CC=CC=C3)C4=CC=NC=C4
InChI
InChI=1S/C21H19N3S/c1-16-9-12-24-19(15-25-14-17-5-3-2-4-6-17)21(23-20(24)13-16)18-7-10-22-11-8-18/h2-13H,14-15H2,1H3
InChIKey
DIOWNVFAEUPOMF-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-7-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.12997 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13725 181.8
[M+Na]+ 368.11919 192.9
[M-H]- 344.12269 189.3
[M+NH4]+ 363.16379 194.6
[M+K]+ 384.09313 184.6
[M+H-H2O]+ 328.12723 171.8
[M+HCOO]- 390.12817 198.5
[M+CH3COO]- 404.14382 192.7
[M+Na-2H]- 366.10464 184.4
[M]+ 345.12942 186.6
[M]- 345.13052 186.6
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.