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]+ 353.149576 181.6
[M+Na]+ 375.131518 188.9
[M-H]- 351.135024 190.7
[M+NH4]+ 370.176123 191.1
[M+K]+ 391.105458 186.3
[M+H-H2O]+ 335.139560 171.5
[M+HCOO]- 397.140501 198.3
[M+CH3COO]- 411.156151 191.9
[M+Na-2H]- 373.116966 184.4
[M]+ 352.14175142 183.6
[M]- 352.14284858 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.