CID 512354

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

Structural Information

Molecular Formula
C16H22N2S
SMILES
CC1=CC2=NC=C(N2C=C1)CSCC3CCCCC3
InChI
InChI=1S/C16H22N2S/c1-13-7-8-18-15(10-17-16(18)9-13)12-19-11-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3
InChIKey
PMYOYZRYALWHQJ-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethylsulfanylmethyl)-7-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.15036 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15764 163.2
[M+Na]+ 297.13958 171.1
[M-H]- 273.14308 167.8
[M+NH4]+ 292.18418 180.5
[M+K]+ 313.11352 165.7
[M+H-H2O]+ 257.14762 155.2
[M+HCOO]- 319.14856 177.4
[M+CH3COO]- 333.16421 174.3
[M+Na-2H]- 295.12503 164.1
[M]+ 274.14981 164.1
[M]- 274.15091 164.1
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.