CID 54693678

2-furancarboxamide, n-[2-(4-chlorophenyl)ethyl]-2,5-dihydro-3-hydroxy-2-(1-methylethyl)-5-oxo-4-(1-phenylethyl)-

Structural Information

Molecular Formula
C24H26ClNO4
SMILES
CC(C)C1(C(=C(C(=O)O1)C(C)C2=CC=CC=C2)O)C(=O)NCCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H26ClNO4/c1-15(2)24(23(29)26-14-13-17-9-11-19(25)12-10-17)21(27)20(22(28)30-24)16(3)18-7-5-4-6-8-18/h4-12,15-16,27H,13-14H2,1-3H3,(H,26,29)
InChIKey
RIEOBJGFSDTZGV-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)ethyl]-3-hydroxy-5-oxo-4-(1-phenylethyl)-2-propan-2-ylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.15503 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16231 203.7
[M+Na]+ 450.14425 209.7
[M-H]- 426.14775 212.9
[M+NH4]+ 445.18885 215.8
[M+K]+ 466.11819 205.2
[M+H-H2O]+ 410.15229 196.8
[M+HCOO]- 472.15323 217.7
[M+CH3COO]- 486.16888 227.2
[M+Na-2H]- 448.12970 200.9
[M]+ 427.15448 208.0
[M]- 427.15558 208.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.