CID 54693674

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

Structural Information

Molecular Formula
C29H29NO4
SMILES
CC(C)(C)NC(=O)C1(C(=C(C(=O)O1)C2=CC=C(C=C2)C3=CC=CC=C3)O)CCC4=CC=CC=C4
InChI
InChI=1S/C29H29NO4/c1-28(2,3)30-27(33)29(19-18-20-10-6-4-7-11-20)25(31)24(26(32)34-29)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-17,31H,18-19H2,1-3H3,(H,30,33)
InChIKey
DFBGKGWLYKXNRV-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-hydroxy-5-oxo-2-(2-phenylethyl)-4-(4-phenylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.20966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.21694 213.2
[M+Na]+ 478.19888 218.3
[M-H]- 454.20238 225.4
[M+NH4]+ 473.24348 222.7
[M+K]+ 494.17282 214.0
[M+H-H2O]+ 438.20692 203.9
[M+HCOO]- 500.20786 231.4
[M+CH3COO]- 514.22351 232.6
[M+Na-2H]- 476.18433 213.6
[M]+ 455.20911 214.5
[M]- 455.21021 214.5
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.