CID 505087

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

Structural Information

Molecular Formula
C23H25N3O5
SMILES
CCC1CN=C(O1)C(=O)CC(=O)N(CCCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C23H25N3O5/c1-2-20-16-24-23(31-20)21(27)15-22(28)25(14-6-9-17-7-4-3-5-8-17)18-10-12-19(13-11-18)26(29)30/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3
InChIKey
YJFMRKZHDCJKQC-UHFFFAOYSA-N
Compound name
3-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-(4-nitrophenyl)-3-oxo-N-(3-phenylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1794 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18668 203.9
[M+Na]+ 446.16862 204.9
[M-H]- 422.17212 213.2
[M+NH4]+ 441.21322 210.9
[M+K]+ 462.14256 199.1
[M+H-H2O]+ 406.17666 197.5
[M+HCOO]- 468.17760 224.7
[M+CH3COO]- 482.19325 225.0
[M+Na-2H]- 444.15407 204.7
[M]+ 423.17885 204.8
[M]- 423.17995 204.8
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.