CID 504990

3-(5-ethyl-4,5-dihydro-oxazol-2-yl)-n-(3-isopropyl-phenyl)-3-oxo-n-(3-phenyl-propyl)-propionamide

Structural Information

Molecular Formula
C26H32N2O3
SMILES
CCC1CN=C(O1)C(=O)CC(=O)N(CCCC2=CC=CC=C2)C3=CC=CC(=C3)C(C)C
InChI
InChI=1S/C26H32N2O3/c1-4-23-18-27-26(31-23)24(29)17-25(30)28(15-9-12-20-10-6-5-7-11-20)22-14-8-13-21(16-22)19(2)3/h5-8,10-11,13-14,16,19,23H,4,9,12,15,17-18H2,1-3H3
InChIKey
IEXKLMSMYUKLAZ-UHFFFAOYSA-N
Compound name
3-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-oxo-N-(3-phenylpropyl)-N-(3-propan-2-ylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2413 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.24858 208.2
[M+Na]+ 443.23052 210.2
[M-H]- 419.23402 217.3
[M+NH4]+ 438.27512 216.7
[M+K]+ 459.20446 207.7
[M+H-H2O]+ 403.23856 197.6
[M+HCOO]- 465.23950 226.3
[M+CH3COO]- 479.25515 233.4
[M+Na-2H]- 441.21597 204.1
[M]+ 420.24075 211.4
[M]- 420.24185 211.4
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.