CID 54693677

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

Structural Information

Molecular Formula
C25H35NO4
SMILES
CC(CCC=C(C)C)C1=C(C(OC1=O)(CCC2=CC=CC=C2)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C25H35NO4/c1-17(2)11-10-12-18(3)20-21(27)25(30-22(20)28,23(29)26-24(4,5)6)16-15-19-13-8-7-9-14-19/h7-9,11,13-14,18,27H,10,12,15-16H2,1-6H3,(H,26,29)
InChIKey
JHSYOWGHTHLLSW-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-hydroxy-4-(6-methylhept-5-en-2-yl)-5-oxo-2-(2-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

413.25662 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.26390 204.4
[M+Na]+ 436.24584 207.8
[M-H]- 412.24934 209.7
[M+NH4]+ 431.29044 216.5
[M+K]+ 452.21978 205.2
[M+H-H2O]+ 396.25388 198.4
[M+HCOO]- 458.25482 219.8
[M+CH3COO]- 472.27047 227.7
[M+Na-2H]- 434.23129 201.5
[M]+ 413.25607 207.4
[M]- 413.25717 207.4
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.