CID 473064

3-(2-morpholinoethyl)-6-pentanoyl-1,3-benzoxazol-2-one

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₄

SMILES

CCCCC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN3CCOCC3

InChI

InChI=1S/C18H24N2O4/c1-2-3-4-16(21)14-5-6-15-17(13-14)24-18(22)20(15)8-7-19-9-11-23-12-10-19/h5-6,13H,2-4,7-12H2,1H3

InChIKey

IHSLRTUSXUDRHP-UHFFFAOYSA-N

Compound name

3-(2-morpholin-4-ylethyl)-6-pentanoyl-1,3-benzoxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 332.1736 Da
Monoisotopic Mass: 2.0
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]+	333.180876	178.9
[M+Na]+	355.162818	185.8
[M-H]-	331.166324	184.6
[M+NH4]+	350.207423	189.9
[M+K]+	371.136758	184.0
[M+H-H2O]+	315.170860	169.9
[M+HCOO]-	377.171801	195.1
[M+CH3COO]-	391.187451	209.1
[M+Na-2H]-	353.148266	180.8
[M]+	332.17305142	183.0
[M]-	332.17414858	183.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.