CID 54693672

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

Structural Information

Molecular Formula
C27H33NO4
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(C(OC2=O)(CCC3=CC=CC=C3)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C27H33NO4/c1-25(2,3)20-14-12-19(13-15-20)21-22(29)27(32-23(21)30,24(31)28-26(4,5)6)17-16-18-10-8-7-9-11-18/h7-15,29H,16-17H2,1-6H3,(H,28,31)
InChIKey
GPMQOPXRPWSSMW-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-(4-tert-butylphenyl)-3-hydroxy-5-oxo-2-(2-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.24097 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.24825 207.4
[M+Na]+ 458.23019 212.6
[M-H]- 434.23369 216.7
[M+NH4]+ 453.27479 218.7
[M+K]+ 474.20413 209.7
[M+H-H2O]+ 418.23823 200.5
[M+HCOO]- 480.23917 223.6
[M+CH3COO]- 494.25482 230.4
[M+Na-2H]- 456.21564 208.6
[M]+ 435.24042 210.3
[M]- 435.24152 210.3
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.