CID 516642

3-(4-chlorophenyl)-3-(1h-imidazol-1-ylmethyl)-2-methyl-5-phenylisoxazolidine

Structural Information

Molecular Formula
C20H20ClN3O
SMILES
CN1[C@](C[C@H](O1)C2=CC=CC=C2)(CN3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H20ClN3O/c1-23-20(14-24-12-11-22-15-24,17-7-9-18(21)10-8-17)13-19(25-23)16-5-3-2-4-6-16/h2-12,15,19H,13-14H2,1H3/t19-,20+/m0/s1
InChIKey
BBNVZZVNBCNJEY-VQTJNVASSA-N
Compound name
(3S,5S)-3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-5-phenyl-1,2-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

353.1295 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13678 183.1
[M+Na]+ 376.11872 191.9
[M-H]- 352.12222 192.6
[M+NH4]+ 371.16332 196.3
[M+K]+ 392.09266 186.1
[M+H-H2O]+ 336.12676 172.1
[M+HCOO]- 398.12770 197.3
[M+CH3COO]- 412.14335 193.6
[M+Na-2H]- 374.10417 182.9
[M]+ 353.12895 184.7
[M]- 353.13005 184.7
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

patents stripe