CID 473066

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

Structural Information

Molecular Formula
C20H20N2O4
SMILES
C1COCCN1CCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)OC2=O
InChI
InChI=1S/C20H20N2O4/c23-19(15-4-2-1-3-5-15)16-6-7-17-18(14-16)26-20(24)22(17)9-8-21-10-12-25-13-11-21/h1-7,14H,8-13H2
InChIKey
GYCYJBSABFCAOZ-UHFFFAOYSA-N
Compound name
6-benzoyl-3-(2-morpholin-4-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 181.6
[M+Na]+ 375.13152 188.9
[M-H]- 351.13502 190.7
[M+NH4]+ 370.17612 191.1
[M+K]+ 391.10546 186.3
[M+H-H2O]+ 335.13956 171.5
[M+HCOO]- 397.14050 198.3
[M+CH3COO]- 411.15615 191.9
[M+Na-2H]- 373.11697 184.4
[M]+ 352.14175 183.6
[M]- 352.14285 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.