CID 504989

3-(5-ethyl-4,5-dihydrooxazol-2-yl)-n-(4-fluorophenyl)-3-oxo-n-(3-phenylpropyl)propanamide

Structural Information

Molecular Formula
C23H25FN2O3
SMILES
CCC1CN=C(O1)C(=O)CC(=O)N(CCCC2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H25FN2O3/c1-2-20-16-25-23(29-20)21(27)15-22(28)26(19-12-10-18(24)11-13-19)14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3
InChIKey
KHUUJOYXGIDRLD-UHFFFAOYSA-N
Compound name
3-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-(4-fluorophenyl)-3-oxo-N-(3-phenylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1849 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19218 197.7
[M+Na]+ 419.17412 201.4
[M-H]- 395.17762 205.9
[M+NH4]+ 414.21872 207.3
[M+K]+ 435.14806 198.6
[M+H-H2O]+ 379.18216 186.4
[M+HCOO]- 441.18310 216.9
[M+CH3COO]- 455.19875 226.4
[M+Na-2H]- 417.15957 195.7
[M]+ 396.18435 199.5
[M]- 396.18545 199.5
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.