CID 501941

6,8-dibromo-3-(2-furylmethylsulfanylmethyl)-5-methyl-imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C14H12Br2N2OS
SMILES
CC1=C(C=C(C2=NC=C(N12)CSCC3=CC=CO3)Br)Br
InChI
InChI=1S/C14H12Br2N2OS/c1-9-12(15)5-13(16)14-17-6-10(18(9)14)7-20-8-11-3-2-4-19-11/h2-6H,7-8H2,1H3
InChIKey
KJUIGWDTMLAAEL-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(furan-2-ylmethylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.90372 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.91100 156.9
[M+Na]+ 436.89294 172.0
[M-H]- 412.89644 167.3
[M+NH4]+ 431.93754 175.0
[M+K]+ 452.86688 157.9
[M+H-H2O]+ 396.90098 166.6
[M+HCOO]- 458.90192 170.5
[M+CH3COO]- 472.91757 172.0
[M+Na-2H]- 434.87839 161.2
[M]+ 413.90317 197.5
[M]- 413.90427 197.5
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.