CID 491431

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

Structural Information

Molecular Formula
C20H22N2S
SMILES
CC1CC1C2=C(N3C=CC(=CC3=N2)C)CSCC4=CC=CC=C4
InChI
InChI=1S/C20H22N2S/c1-14-8-9-22-18(13-23-12-16-6-4-3-5-7-16)20(17-11-15(17)2)21-19(22)10-14/h3-10,15,17H,11-13H2,1-2H3
InChIKey
CYTHXAZQLUVMMO-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-7-methyl-2-(2-methylcyclopropyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.15036 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15764 174.5
[M+Na]+ 345.13958 186.8
[M-H]- 321.14308 183.5
[M+NH4]+ 340.18418 185.7
[M+K]+ 361.11352 179.2
[M+H-H2O]+ 305.14762 166.2
[M+HCOO]- 367.14856 192.2
[M+CH3COO]- 381.16421 186.0
[M+Na-2H]- 343.12503 175.1
[M]+ 322.14981 182.1
[M]- 322.15091 182.1
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.