CID 3069252

84459-91-6

Structural Information

Molecular Formula

C₁₈H₁₉ClN₂O₂

SMILES

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

InChI

InChI=1S/C18H19ClN2O2/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

JDEMBVCSUSOISN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 330.1135 Da
Monoisotopic Mass: 3.4
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]+	331.120776	179.6
[M+Na]+	353.102718	187.4
[M-H]-	329.106224	188.0
[M+NH4]+	348.147323	192.8
[M+K]+	369.076658	181.7
[M+H-H2O]+	313.110760	171.0
[M+HCOO]-	375.111701	195.8
[M+CH3COO]-	389.127351	190.3
[M+Na-2H]-	351.088166	179.7
[M]+	330.11295142	180.7
[M]-	330.11404858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe