CID 510910

2,6,7-trichloro-3-(benzyloxymethyl)imidazol[1,2-a]pyridine

Structural Information

Molecular Formula
C15H11Cl3N2O
SMILES
C1=CC=C(C=C1)COCC2=C(N=C3N2C=C(C(=C3)Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3N2O/c16-11-6-14-19-15(18)13(20(14)7-12(11)17)9-21-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKey
UYWYKTYHURGNOG-UHFFFAOYSA-N
Compound name
2,6,7-trichloro-3-(phenylmethoxymethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.99368 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00096 172.3
[M+Na]+ 362.98290 185.1
[M-H]- 338.98640 175.8
[M+NH4]+ 358.02750 187.7
[M+K]+ 378.95684 177.3
[M+H-H2O]+ 322.99094 164.4
[M+HCOO]- 384.99188 180.0
[M+CH3COO]- 399.00753 183.4
[M+Na-2H]- 360.96835 175.3
[M]+ 339.99313 179.6
[M]- 339.99423 179.6
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.