CID 5275500

4-morpholineacetamide, n-[2-(4-fluorophenyl)-5-benzoxazolyl]-

Structural Information

Molecular Formula
C19H18FN3O3
SMILES
C1COCCN1CC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C19H18FN3O3/c20-14-3-1-13(2-4-14)19-22-16-11-15(5-6-17(16)26-19)21-18(24)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12H2,(H,21,24)
InChIKey
MRVBMNGKJHVYNS-UHFFFAOYSA-N
Compound name
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.1332 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.140476 181.8
[M+Na]+ 378.122418 188.7
[M-H]- 354.125924 189.6
[M+NH4]+ 373.167023 191.0
[M+K]+ 394.096358 185.6
[M+H-H2O]+ 338.130460 170.6
[M+HCOO]- 400.131401 198.5
[M+CH3COO]- 414.147051 191.5
[M+Na-2H]- 376.107866 185.1
[M]+ 355.13265142 181.2
[M]- 355.13374858 181.2
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.