CID 501933

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

Structural Information

Molecular Formula
C16H12Br2Cl2N2S
SMILES
CC1=C(C=C(C2=NC=C(N12)CSCC3=CC(=C(C=C3)Cl)Cl)Br)Br
InChI
InChI=1S/C16H12Br2Cl2N2S/c1-9-12(17)5-13(18)16-21-6-11(22(9)16)8-23-7-10-2-3-14(19)15(20)4-10/h2-6H,7-8H2,1H3
InChIKey
VOQDPBOHCJCQRB-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-[(3,4-dichlorophenyl)methylsulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.8465 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.85378 165.2
[M+Na]+ 514.83572 181.7
[M-H]- 490.83922 174.2
[M+NH4]+ 509.88032 181.7
[M+K]+ 530.80966 163.3
[M+H-H2O]+ 474.84376 174.5
[M+HCOO]- 536.84470 169.8
[M+CH3COO]- 550.86035 179.0
[M+Na-2H]- 512.82117 168.8
[M]+ 491.84595 206.1
[M]- 491.84705 206.1
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.