CID 3069254

84459-93-8

Structural Information

Molecular Formula
C18H18ClFN2O2
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)CCC3=CC(=C(C=C3)F)Cl)CN
InChI
InChI=1S/C18H18ClFN2O2/c19-16-9-13(5-8-17(16)20)2-1-12-3-6-14(7-4-12)22-11-15(10-21)24-18(22)23/h3-9,15H,1-2,10-11,21H2
InChIKey
FTNXBSWWRGOAOB-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-3-[4-[2-(3-chloro-4-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1041 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11138 182.1
[M+Na]+ 371.09332 195.5
[M+NH4]+ 366.13792 189.1
[M+K]+ 387.06726 189.3
[M-H]- 347.09682 187.4
[M+Na-2H]- 369.07877 188.2
[M]+ 348.10355 185.7
[M]- 348.10465 185.7
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.