CID 163912

113614-50-9

Structural Information

Molecular Formula
C20H19Cl2N3O
SMILES
CN1[C@@](C[C@@H](O1)C2=CC=C(C=C2)Cl)(CN3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H19Cl2N3O/c1-24-20(13-25-11-10-23-14-25,16-4-8-18(22)9-5-16)12-19(26-24)15-2-6-17(21)7-3-15/h2-11,14,19H,12-13H2,1H3/t19-,20+/m1/s1
InChIKey
JQNRGBCRWDMIDS-UXHICEINSA-N
Compound name
(3R,5R)-3,5-bis(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.0905 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09778 190.6
[M+Na]+ 410.07972 200.5
[M-H]- 386.08322 199.4
[M+NH4]+ 405.12432 203.1
[M+K]+ 426.05366 193.7
[M+H-H2O]+ 370.08776 179.6
[M+HCOO]- 432.08870 199.4
[M+CH3COO]- 446.10435 200.4
[M+Na-2H]- 408.06517 188.7
[M]+ 387.08995 193.7
[M]- 387.09105 193.7
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.