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]+ 279.089476 160.9
[M+Na]+ 301.071418 170.1
[M-H]- 277.074924 169.4
[M+NH4]+ 296.116023 177.6
[M+K]+ 317.045358 167.8
[M+H-H2O]+ 261.079460 153.3
[M+HCOO]- 323.080401 176.4
[M+CH3COO]- 337.096051 173.5
[M+Na-2H]- 299.056866 163.8
[M]+ 278.08165142 164.1
[M]- 278.08274858 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.