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]+ 318.169996 175.1
[M+Na]+ 340.151938 181.3
[M-H]- 316.155444 181.1
[M+NH4]+ 335.196543 191.1
[M+K]+ 356.125878 178.8
[M+H-H2O]+ 300.159980 168.7
[M+HCOO]- 362.160921 196.2
[M+CH3COO]- 376.176571 206.7
[M+Na-2H]- 338.137386 176.7
[M]+ 317.16217142 178.1
[M]- 317.16326858 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.