CID 55530

Brn 5566213

Structural Information

Molecular Formula

C₁₇H₂₃N₃O

SMILES

CC(CNC1=CC(=NO1)C2=CC=CC=C2)CN3CCCC3

InChI

InChI=1S/C17H23N3O/c1-14(13-20-9-5-6-10-20)12-18-17-11-16(19-21-17)15-7-3-2-4-8-15/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3

InChIKey

GVOAJYBULRSARU-UHFFFAOYSA-N

Compound name

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-phenyl-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.1841 Da
Monoisotopic Mass: 3.7
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]+	286.191376	167.7
[M+Na]+	308.173318	171.7
[M-H]-	284.176824	174.8
[M+NH4]+	303.217923	181.9
[M+K]+	324.147258	169.2
[M+H-H2O]+	268.181360	158.1
[M+HCOO]-	330.182301	187.8
[M+CH3COO]-	344.197951	178.1
[M+Na-2H]-	306.158766	168.3
[M]+	285.18355142	166.1
[M]-	285.18464858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe