CID 501942

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

Structural Information

Molecular Formula
C14H12Br2N2S2
SMILES
CC1=C(C=C(C2=NC=C(N12)CSCC3=CC=CS3)Br)Br
InChI
InChI=1S/C14H12Br2N2S2/c1-9-12(15)5-13(16)14-17-6-10(18(9)14)7-19-8-11-3-2-4-20-11/h2-6H,7-8H2,1H3
InChIKey
KJVUIHWYBYZPDO-UHFFFAOYSA-N
Compound name
6,8-dibromo-5-methyl-3-(thiophen-2-ylmethylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.88086 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.88814 145.2
[M+Na]+ 452.87008 161.8
[M-H]- 428.87358 155.4
[M+NH4]+ 447.91468 164.6
[M+K]+ 468.84402 145.8
[M+H-H2O]+ 412.87812 155.9
[M+HCOO]- 474.87906 155.8
[M+CH3COO]- 488.89471 160.8
[M+Na-2H]- 450.85553 149.3
[M]+ 429.88031 185.1
[M]- 429.88141 185.1
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.