CID 14150

Isoxazole, 5-(2-pyrrolidinoethyl)-3-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₁₈N₂O

SMILES

C1CCN(C1)CCC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N2O/c1-2-6-13(7-3-1)15-12-14(18-16-15)8-11-17-9-4-5-10-17/h1-3,6-7,12H,4-5,8-11H2

InChIKey

IVDLMJVLIPZPJC-UHFFFAOYSA-N

Compound name

3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.1419 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]+	243.149176	154.8
[M+Na]+	265.131118	161.1
[M-H]-	241.134624	162.1
[M+NH4]+	260.175723	171.2
[M+K]+	281.105058	158.6
[M+H-H2O]+	225.139160	146.0
[M+HCOO]-	287.140101	175.6
[M+CH3COO]-	301.155751	166.8
[M+Na-2H]-	263.116566	156.9
[M]+	242.14135142	153.8
[M]-	242.14244858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe