CID 54693671

N-tert-butyl-3-hydroxy-5-oxo-2,4-diphenethyl-furan-2-carboxamide

Structural Information

Molecular Formula
C25H29NO4
SMILES
CC(C)(C)NC(=O)C1(C(=C(C(=O)O1)CCC2=CC=CC=C2)O)CCC3=CC=CC=C3
InChI
InChI=1S/C25H29NO4/c1-24(2,3)26-23(29)25(17-16-19-12-8-5-9-13-19)21(27)20(22(28)30-25)15-14-18-10-6-4-7-11-18/h4-13,27H,14-17H2,1-3H3,(H,26,29)
InChIKey
JGSDVCGEYZVPKP-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-hydroxy-5-oxo-2,4-bis(2-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.20966 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 200.8
[M+Na]+ 430.19888 205.7
[M-H]- 406.20238 209.7
[M+NH4]+ 425.24348 212.7
[M+K]+ 446.17282 202.1
[M+H-H2O]+ 390.20692 193.0
[M+HCOO]- 452.20786 219.3
[M+CH3COO]- 466.22351 223.4
[M+Na-2H]- 428.18433 202.0
[M]+ 407.20911 203.1
[M]- 407.21021 203.1
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.