CID 3009123

1-[[(2s,4s)-2-(2-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]imidazole

Structural Information

Molecular Formula
C14H15ClN2O2
SMILES
C[C@@]1(OC[C@@H](O1)CN2C=CN=C2)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H15ClN2O2/c1-14(12-4-2-3-5-13(12)15)18-9-11(19-14)8-17-7-6-16-10-17/h2-7,10-11H,8-9H2,1H3/t11-,14-/m0/s1
InChIKey
WCYBFXOARWCWNS-FZMZJTMJSA-N
Compound name
1-[[(2S,4S)-2-(2-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0822 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08948 160.9
[M+Na]+ 301.07142 170.1
[M-H]- 277.07492 169.4
[M+NH4]+ 296.11602 177.6
[M+K]+ 317.04536 167.8
[M+H-H2O]+ 261.07946 153.3
[M+HCOO]- 323.08040 176.4
[M+CH3COO]- 337.09605 173.5
[M+Na-2H]- 299.05687 163.8
[M]+ 278.08165 164.1
[M]- 278.08275 164.1
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.