CID 54693667

N-tert-butyl-3-hydroxy-5-oxo-2-phenethyl-4-(1-phenylethyl)furan-2-carboxamide

Structural Information

Molecular Formula
C25H29NO4
SMILES
CC(C1=CC=CC=C1)C2=C(C(OC2=O)(CCC3=CC=CC=C3)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C25H29NO4/c1-17(19-13-9-6-10-14-19)20-21(27)25(30-22(20)28,23(29)26-24(2,3)4)16-15-18-11-7-5-8-12-18/h5-14,17,27H,15-16H2,1-4H3,(H,26,29)
InChIKey
VMPXKFBRICFDMH-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-hydroxy-5-oxo-4-(1-phenylethyl)-2-(2-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.20966 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 200.4
[M+Na]+ 430.19888 205.0
[M-H]- 406.20238 209.4
[M+NH4]+ 425.24348 212.3
[M+K]+ 446.17282 202.1
[M+H-H2O]+ 390.20692 193.0
[M+HCOO]- 452.20786 218.0
[M+CH3COO]- 466.22351 224.3
[M+Na-2H]- 428.18433 200.6
[M]+ 407.20911 202.2
[M]- 407.21021 202.2
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.