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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 178.9
[M+Na]+ 355.16282 185.8
[M-H]- 331.16632 184.6
[M+NH4]+ 350.20742 189.9
[M+K]+ 371.13676 184.0
[M+H-H2O]+ 315.17086 169.9
[M+HCOO]- 377.17180 195.1
[M+CH3COO]- 391.18745 209.1
[M+Na-2H]- 353.14827 180.8
[M]+ 332.17305 183.0
[M]- 332.17415 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.