CID 491421

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

Structural Information

Molecular Formula
C20H18N2S2
SMILES
CC1=CC2=NC(=C(N2C=C1)CSCC3=CC=CC=C3)C4=CC=CS4
InChI
InChI=1S/C20H18N2S2/c1-15-9-10-22-17(14-23-13-16-6-3-2-4-7-16)20(21-19(22)12-15)18-8-5-11-24-18/h2-12H,13-14H2,1H3
InChIKey
PEVNDZZPOAMAIL-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.09116 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09844 180.0
[M+Na]+ 373.08038 192.8
[M-H]- 349.08388 189.7
[M+NH4]+ 368.12498 197.1
[M+K]+ 389.05432 185.2
[M+H-H2O]+ 333.08842 173.5
[M+HCOO]- 395.08936 194.7
[M+CH3COO]- 409.10501 192.2
[M+Na-2H]- 371.06583 178.7
[M]+ 350.09061 186.9
[M]- 350.09171 186.9
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.