CID 54693660

N-butyl-3-hydroxy-2-methyl-5-oxo-4-phenethyl-furan-2-carboxamide

Structural Information

Molecular Formula
C18H23NO4
SMILES
CCCCNC(=O)C1(C(=C(C(=O)O1)CCC2=CC=CC=C2)O)C
InChI
InChI=1S/C18H23NO4/c1-3-4-12-19-17(22)18(2)15(20)14(16(21)23-18)11-10-13-8-6-5-7-9-13/h5-9,20H,3-4,10-12H2,1-2H3,(H,19,22)
InChIKey
RDZZLMXEYWEILI-UHFFFAOYSA-N
Compound name
N-butyl-3-hydroxy-2-methyl-5-oxo-4-(2-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 175.1
[M+Na]+ 340.15194 181.3
[M-H]- 316.15544 181.1
[M+NH4]+ 335.19654 191.1
[M+K]+ 356.12588 178.8
[M+H-H2O]+ 300.15998 168.7
[M+HCOO]- 362.16092 196.2
[M+CH3COO]- 376.17657 206.7
[M+Na-2H]- 338.13739 176.7
[M]+ 317.16217 178.1
[M]- 317.16327 178.1
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.