CID 504999

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

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1COC(=N1)C(=O)CC(=O)N(CCCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O3/c24-19(21-22-13-15-26-21)16-20(25)23(18-11-5-2-6-12-18)14-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-12H,7,10,13-16H2
InChIKey
HMHZMTUHYNZPQK-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1,3-oxazol-2-yl)-3-oxo-N-phenyl-N-(3-phenylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 185.2
[M+Na]+ 373.15228 187.9
[M-H]- 349.15578 194.4
[M+NH4]+ 368.19688 196.1
[M+K]+ 389.12622 185.9
[M+H-H2O]+ 333.16032 174.8
[M+HCOO]- 395.16126 206.1
[M+CH3COO]- 409.17691 215.5
[M+Na-2H]- 371.13773 186.3
[M]+ 350.16251 186.4
[M]- 350.16361 186.4
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.