CID 511754

Chembl95349

Structural Information

Molecular Formula
C11H12Br2N2OS
SMILES
CC1=C(C2=NC=C(N2C=C1Br)CSCCO)Br
InChI
InChI=1S/C11H12Br2N2OS/c1-7-9(12)5-15-8(6-17-3-2-16)4-14-11(15)10(7)13/h4-5,16H,2-3,6H2,1H3
InChIKey
YTMYVLNJIVZZIC-UHFFFAOYSA-N
Compound name
2-[(6,8-dibromo-7-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.90372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.91100 142.9
[M+Na]+ 400.89294 157.2
[M-H]- 376.89644 148.7
[M+NH4]+ 395.93754 161.1
[M+K]+ 416.86688 140.6
[M+H-H2O]+ 360.90098 151.8
[M+HCOO]- 422.90192 154.4
[M+CH3COO]- 436.91757 212.1
[M+Na-2H]- 398.87839 148.5
[M]+ 377.90317 181.9
[M]- 377.90427 181.9
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.