CID 491428

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

Structural Information

Molecular Formula
C17H15F3N2S
SMILES
CC1=CC2=NC(=C(N2C=C1)CSCC3=CC=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H15F3N2S/c1-12-7-8-22-14(11-23-10-13-5-3-2-4-6-13)16(17(18,19)20)21-15(22)9-12/h2-9H,10-11H2,1H3
InChIKey
YBAMWKBWOWVHKI-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-7-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.0908 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09808 174.4
[M+Na]+ 359.08002 186.3
[M-H]- 335.08352 176.5
[M+NH4]+ 354.12462 189.6
[M+K]+ 375.05396 178.9
[M+H-H2O]+ 319.08806 164.0
[M+HCOO]- 381.08900 187.6
[M+CH3COO]- 395.10465 185.3
[M+Na-2H]- 357.06547 176.0
[M]+ 336.09025 176.6
[M]- 336.09135 176.6
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.