CID 505032

N-benzyl-3-(4,5-dihydrooxazol-2-yl)-3-oxo-n-(3-phenylpropyl)propanamide

Structural Information

Molecular Formula
C22H24N2O3
SMILES
C1COC(=N1)C(=O)CC(=O)N(CCCC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H24N2O3/c25-20(22-23-13-15-27-22)16-21(26)24(17-19-10-5-2-6-11-19)14-7-12-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2
InChIKey
FWRPHXPJQTVWRT-UHFFFAOYSA-N
Compound name
N-benzyl-3-(4,5-dihydro-1,3-oxazol-2-yl)-3-oxo-N-(3-phenylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 189.8
[M+Na]+ 387.16790 192.0
[M-H]- 363.17140 198.7
[M+NH4]+ 382.21250 200.1
[M+K]+ 403.14184 189.8
[M+H-H2O]+ 347.17594 179.2
[M+HCOO]- 409.17688 210.3
[M+CH3COO]- 423.19253 218.4
[M+Na-2H]- 385.15335 190.3
[M]+ 364.17813 191.3
[M]- 364.17923 191.3
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.