CID 501931

6,8-dibromo-3-[(4-chlorophenyl)methylsulfanylmethyl]-5-methyl-imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C16H13Br2ClN2S
SMILES
CC1=C(C=C(C2=NC=C(N12)CSCC3=CC=C(C=C3)Cl)Br)Br
InChI
InChI=1S/C16H13Br2ClN2S/c1-10-14(17)6-15(18)16-20-7-13(21(10)16)9-22-8-11-2-4-12(19)5-3-11/h2-7H,8-9H2,1H3
InChIKey
KNHSLKYHCKOARP-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-[(4-chlorophenyl)methylsulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.88547 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.89275 161.1
[M+Na]+ 480.87469 176.6
[M-H]- 456.87819 170.4
[M+NH4]+ 475.91929 178.1
[M+K]+ 496.84863 158.9
[M+H-H2O]+ 440.88273 170.3
[M+HCOO]- 502.88367 169.9
[M+CH3COO]- 516.89932 175.3
[M+Na-2H]- 478.86014 165.7
[M]+ 457.88492 201.6
[M]- 457.88602 201.6
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.