CID 504988

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

Structural Information

Molecular Formula
C21H21N3O5
SMILES
C1COC(=N1)C(=O)CC(=O)N(CCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H21N3O5/c25-19(21-22-11-13-29-21)15-20(26)23(12-5-8-16-6-2-1-3-7-16)17-9-4-10-18(14-17)24(27)28/h1-4,6-7,9-10,14H,5,8,11-13,15H2
InChIKey
YDICYGOOKHEGQU-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1,3-oxazol-2-yl)-N-(3-nitrophenyl)-3-oxo-N-(3-phenylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.14813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15541 194.2
[M+Na]+ 418.13735 195.3
[M-H]- 394.14085 203.5
[M+NH4]+ 413.18195 202.1
[M+K]+ 434.11129 189.9
[M+H-H2O]+ 378.14539 187.9
[M+HCOO]- 440.14633 215.8
[M+CH3COO]- 454.16198 218.0
[M+Na-2H]- 416.12280 196.8
[M]+ 395.14758 194.1
[M]- 395.14868 194.1
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.