CID 3069251

84459-89-2

Structural Information

Molecular Formula

C₁₈H₁₉FN₂O₂

SMILES

C1C(OC(=O)N1C2=CC=C(C=C2)CCC3=CC(=CC=C3)F)CN

InChI

InChI=1S/C18H19FN2O2/c19-15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)21-12-17(11-20)23-18(21)22/h1-3,6-10,17H,4-5,11-12,20H2

InChIKey

KVZHNOGFUCSHMN-UHFFFAOYSA-N

Compound name

5-(aminomethyl)-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 314.14307 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.150346	173.9
[M+Na]+	337.132288	181.2
[M-H]-	313.135794	181.3
[M+NH4]+	332.176893	186.9
[M+K]+	353.106228	176.6
[M+H-H2O]+	297.140330	164.0
[M+HCOO]-	359.141271	193.9
[M+CH3COO]-	373.156921	208.1
[M+Na-2H]-	335.117736	174.2
[M]+	314.14252142	171.9
[M]-	314.14361858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe