CID 11381971

[3-(4-chlorophenyl)-2-phenyl-isoxazolidin-5-yl]methyl acetate

Structural Information

Molecular Formula
C18H18ClNO3
SMILES
CC(=O)OCC1CC(N(O1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClNO3/c1-13(21)22-12-17-11-18(14-7-9-15(19)10-8-14)20(23-17)16-5-3-2-4-6-16/h2-10,17-18H,11-12H2,1H3
InChIKey
ONAAXHWMVLKFIC-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenyl)-2-phenyl-1,2-oxazolidin-5-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.09753 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10481 177.1
[M+Na]+ 354.08675 184.7
[M-H]- 330.09025 186.0
[M+NH4]+ 349.13135 190.6
[M+K]+ 370.06069 180.6
[M+H-H2O]+ 314.09479 168.7
[M+HCOO]- 376.09573 192.3
[M+CH3COO]- 390.11138 205.7
[M+Na-2H]- 352.07220 177.5
[M]+ 331.09698 180.3
[M]- 331.09808 180.3
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.