CID 504987

3-(4,4-dimethyl-5h-oxazol-2-yl)-n-(3-nitrophenyl)-3-oxo-n-(3-phenylpropyl)propanamide

Structural Information

Molecular Formula
C23H25N3O5
SMILES
CC1(COC(=N1)C(=O)CC(=O)N(CCCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C
InChI
InChI=1S/C23H25N3O5/c1-23(2)16-31-22(24-23)20(27)15-21(28)25(13-7-10-17-8-4-3-5-9-17)18-11-6-12-19(14-18)26(29)30/h3-6,8-9,11-12,14H,7,10,13,15-16H2,1-2H3
InChIKey
ZFLRUCJZQCQZNZ-UHFFFAOYSA-N
Compound name
3-(4,4-dimethyl-5H-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

423.1794 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18668 202.5
[M+Na]+ 446.16862 204.7
[M-H]- 422.17212 212.2
[M+NH4]+ 441.21322 211.6
[M+K]+ 462.14256 199.3
[M+H-H2O]+ 406.17666 196.9
[M+HCOO]- 468.17760 223.5
[M+CH3COO]- 482.19325 224.4
[M+Na-2H]- 444.15407 204.8
[M]+ 423.17885 203.9
[M]- 423.17995 203.9
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.