CID 759253

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

Structural Information

Molecular Formula
C14H14Cl2N2O2
SMILES
C[C@@]1(OC[C@@H](O1)CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H14Cl2N2O2/c1-14(12-3-2-10(15)6-13(12)16)19-8-11(20-14)7-18-5-4-17-9-18/h2-6,9,11H,7-8H2,1H3/t11-,14-/m0/s1
InChIKey
DDNVEWAIDHLLPI-FZMZJTMJSA-N
Compound name
1-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.04324 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.05052 168.6
[M+Na]+ 335.03246 178.8
[M-H]- 311.03596 176.4
[M+NH4]+ 330.07706 184.5
[M+K]+ 351.00640 175.2
[M+H-H2O]+ 295.04050 161.1
[M+HCOO]- 357.04144 178.7
[M+CH3COO]- 371.05709 180.4
[M+Na-2H]- 333.01791 169.8
[M]+ 312.04269 173.0
[M]- 312.04379 173.0
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.