CID 510906

3-[(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)methoxy]propan-1-ol

Structural Information

Molecular Formula
C11H11Cl3N2O2
SMILES
C1=C(C(=CN2C1=NC(=C2COCCCO)Cl)Cl)Cl
InChI
InChI=1S/C11H11Cl3N2O2/c12-7-4-10-15-11(14)9(6-18-3-1-2-17)16(10)5-8(7)13/h4-5,17H,1-3,6H2
InChIKey
PSKJUDNIVSITLN-UHFFFAOYSA-N
Compound name
3-[(2,6,7-trichloroimidazo[1,2-a]pyridin-3-yl)methoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.98862 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99590 161.2
[M+Na]+ 330.97784 173.7
[M-H]- 306.98134 160.6
[M+NH4]+ 326.02244 177.6
[M+K]+ 346.95178 167.0
[M+H-H2O]+ 290.98588 155.6
[M+HCOO]- 352.98682 167.8
[M+CH3COO]- 367.00247 199.3
[M+Na-2H]- 328.96329 164.0
[M]+ 307.98807 168.6
[M]- 307.98917 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.