CID 54693670

4-benzyl-n-tert-butyl-3-hydroxy-5-oxo-2-phenethyl-furan-2-carboxamide

Structural Information

Molecular Formula
C24H27NO4
SMILES
CC(C)(C)NC(=O)C1(C(=C(C(=O)O1)CC2=CC=CC=C2)O)CCC3=CC=CC=C3
InChI
InChI=1S/C24H27NO4/c1-23(2,3)25-22(28)24(15-14-17-10-6-4-7-11-17)20(26)19(21(27)29-24)16-18-12-8-5-9-13-18/h4-13,26H,14-16H2,1-3H3,(H,25,28)
InChIKey
YSSXDIGKRLSYCW-UHFFFAOYSA-N
Compound name
4-benzyl-N-tert-butyl-3-hydroxy-5-oxo-2-(2-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.194 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 196.3
[M+Na]+ 416.18322 201.6
[M-H]- 392.18672 205.4
[M+NH4]+ 411.22782 208.8
[M+K]+ 432.15716 198.3
[M+H-H2O]+ 376.19126 188.7
[M+HCOO]- 438.19220 215.2
[M+CH3COO]- 452.20785 220.4
[M+Na-2H]- 414.16867 198.1
[M]+ 393.19345 198.3
[M]- 393.19455 198.3
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.