CID 473068

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

Structural Information

Molecular Formula
C20H19FN2O4
SMILES
C1COCCN1CCN2C3=C(C=C(C=C3)C(=O)C4=CC(=CC=C4)F)OC2=O
InChI
InChI=1S/C20H19FN2O4/c21-16-3-1-2-14(12-16)19(24)15-4-5-17-18(13-15)27-20(25)23(17)7-6-22-8-10-26-11-9-22/h1-5,12-13H,6-11H2
InChIKey
DAOVDWMTZMWEBX-UHFFFAOYSA-N
Compound name
6-(3-fluorobenzoyl)-3-(2-morpholin-4-ylethyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.13287 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14015 185.7
[M+Na]+ 393.12209 194.0
[M-H]- 369.12559 193.8
[M+NH4]+ 388.16669 194.7
[M+K]+ 409.09603 190.8
[M+H-H2O]+ 353.13013 174.7
[M+HCOO]- 415.13107 201.3
[M+CH3COO]- 429.14672 195.7
[M+Na-2H]- 391.10754 187.1
[M]+ 370.13232 187.2
[M]- 370.13342 187.2
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.