CID 491423

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

Structural Information

Molecular Formula
C20H18N2OS
SMILES
CC1=CC2=NC(=C(N2C=C1)CSCC3=CC=CC=C3)C4=CC=CO4
InChI
InChI=1S/C20H18N2OS/c1-15-9-10-22-17(14-24-13-16-6-3-2-4-7-16)20(21-19(22)12-15)18-8-5-11-23-18/h2-12H,13-14H2,1H3
InChIKey
ILSRXMWHOCLOQV-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-2-(furan-2-yl)-7-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.11398 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12126 177.9
[M+Na]+ 357.10320 189.8
[M-H]- 333.10670 188.3
[M+NH4]+ 352.14780 193.6
[M+K]+ 373.07714 184.5
[M+H-H2O]+ 317.11124 170.4
[M+HCOO]- 379.11218 196.9
[M+CH3COO]- 393.12783 190.6
[M+Na-2H]- 355.08865 178.6
[M]+ 334.11343 185.2
[M]- 334.11453 185.2
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.