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 152.5
[M+Na]+ 273.04012 163.6
[M-H]- 249.04362 157.1
[M+NH4]+ 268.08472 170.0
[M+K]+ 289.01406 158.8
[M+H-H2O]+ 233.04816 144.7
[M+HCOO]- 295.04910 171.6
[M+CH3COO]- 309.06475 191.6
[M+Na-2H]- 271.02557 156.3
[M]+ 250.05035 157.8
[M]- 250.05145 157.8
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.