CID 491429

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

Structural Information

Molecular Formula
C20H24N2S
SMILES
CC1=CC2=NC(=C(N2C=C1)CSCC3=CC=CC=C3)C(C)(C)C
InChI
InChI=1S/C20H24N2S/c1-15-10-11-22-17(14-23-13-16-8-6-5-7-9-16)19(20(2,3)4)21-18(22)12-15/h5-12H,13-14H2,1-4H3
InChIKey
XGPKUEBRAQMMLD-UHFFFAOYSA-N
Compound name
3-(benzylsulfanylmethyl)-2-tert-butyl-7-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.16602 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17330 180.4
[M+Na]+ 347.15524 190.9
[M-H]- 323.15874 186.3
[M+NH4]+ 342.19984 196.4
[M+K]+ 363.12918 184.4
[M+H-H2O]+ 307.16328 172.5
[M+HCOO]- 369.16422 195.8
[M+CH3COO]- 383.17987 191.8
[M+Na-2H]- 345.14069 182.2
[M]+ 324.16547 186.7
[M]- 324.16657 186.7
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.