CID 47091279

2-(benzyloxy)-4-chloro-1-methyl-1h-imidazole-5-carbaldehyde

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CN1C(=C(N=C1OCC2=CC=CC=C2)Cl)C=O
InChI
InChI=1S/C12H11ClN2O2/c1-15-10(7-16)11(13)14-12(15)17-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKey
WALQONFPPBCULZ-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-2-phenylmethoxyimidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 152.9
[M+Na]+ 273.04012 167.9
[M+NH4]+ 268.08472 160.8
[M+K]+ 289.01406 162.1
[M-H]- 249.04362 155.4
[M+Na-2H]- 271.02557 160.7
[M]+ 250.05035 156.0
[M]- 250.05145 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.