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

143
Patents

273.0669 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07418 159.4
[M+Na]+ 296.05612 171.8
[M-H]- 272.05962 163.7
[M+NH4]+ 291.10072 175.6
[M+K]+ 312.03006 165.5
[M+H-H2O]+ 256.06416 150.2
[M+HCOO]- 318.06510 177.1
[M+CH3COO]- 332.08075 172.1
[M+Na-2H]- 294.04157 165.7
[M]+ 273.06635 165.4
[M]- 273.06745 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.