CID 3070624

Brn 5756628

Structural Information

Molecular Formula

C₁₇H₂₃N₃O₂

SMILES

CC(CCN1CCOCC1)NC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O2/c1-14(7-8-20-9-11-21-12-10-20)18-17-13-16(19-22-17)15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3

InChIKey

JFCPPRNYYLXIGH-UHFFFAOYSA-N

Compound name

N-(4-morpholin-4-ylbutan-2-yl)-3-phenyl-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.17902 Da
Monoisotopic Mass: 2.8
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]+	302.186296	172.4
[M+Na]+	324.168238	175.6
[M-H]-	300.171744	179.4
[M+NH4]+	319.212843	182.5
[M+K]+	340.142178	174.1
[M+H-H2O]+	284.176280	162.1
[M+HCOO]-	346.177221	189.4
[M+CH3COO]-	360.192871	181.8
[M+Na-2H]-	322.153686	175.1
[M]+	301.17847142	170.4
[M]-	301.17956858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe