CID 3086242

Bamaluzole

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
CN1C=NC2=C1C=CN=C2OCC3=CC=CC=C3Cl
InChI
InChI=1S/C14H12ClN3O/c1-18-9-17-13-12(18)6-7-16-14(13)19-8-10-4-2-3-5-11(10)15/h2-7,9H,8H2,1H3
InChIKey
XRGNABQSJLQUGV-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)methoxy]-1-methylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

273.0669 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.074176 159.4
[M+Na]+ 296.056118 171.8
[M-H]- 272.059624 163.7
[M+NH4]+ 291.100723 175.6
[M+K]+ 312.030058 165.5
[M+H-H2O]+ 256.064160 150.2
[M+HCOO]- 318.065101 177.1
[M+CH3COO]- 332.080751 172.1
[M+Na-2H]- 294.041566 165.7
[M]+ 273.06635142 165.4
[M]- 273.06744858 165.4
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.