CID 491424

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

Structural Information

Molecular Formula
C26H22N2S
SMILES
CC1=CC2=NC(=C(N2C=C1)CSCC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C26H22N2S/c1-19-13-14-28-24(18-29-17-20-7-3-2-4-8-20)26(27-25(28)15-19)23-12-11-21-9-5-6-10-22(21)16-23/h2-16H,17-18H2,1H3
InChIKey
CRKUCGJYABHPOB-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-7-methyl-2-naphthalen-2-ylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.15036 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15764 196.5
[M+Na]+ 417.13958 207.4
[M-H]- 393.14308 205.9
[M+NH4]+ 412.18418 209.6
[M+K]+ 433.11352 198.0
[M+H-H2O]+ 377.14762 186.4
[M+HCOO]- 439.14856 212.4
[M+CH3COO]- 453.16421 206.7
[M+Na-2H]- 415.12503 198.8
[M]+ 394.14981 201.5
[M]- 394.15091 201.5
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.