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]+ 356.14048 181.8
[M+Na]+ 378.12242 188.7
[M-H]- 354.12592 189.6
[M+NH4]+ 373.16702 191.0
[M+K]+ 394.09636 185.6
[M+H-H2O]+ 338.13046 170.6
[M+HCOO]- 400.13140 198.5
[M+CH3COO]- 414.14705 191.5
[M+Na-2H]- 376.10787 185.1
[M]+ 355.13265 181.2
[M]- 355.13375 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.