CID 54693663

3-hydroxy-n-(2-methoxyethyl)-2-methyl-5-oxo-4-(1-phenylethyl)furan-2-carboxamide

Structural Information

Molecular Formula
C17H21NO5
SMILES
CC(C1=CC=CC=C1)C2=C(C(OC2=O)(C)C(=O)NCCOC)O
InChI
InChI=1S/C17H21NO5/c1-11(12-7-5-4-6-8-12)13-14(19)17(2,23-15(13)20)16(21)18-9-10-22-3/h4-8,11,19H,9-10H2,1-3H3,(H,18,21)
InChIKey
XGCGZESGXHSANN-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(2-methoxyethyl)-2-methyl-5-oxo-4-(1-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.14197 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 173.4
[M+Na]+ 342.13119 179.6
[M-H]- 318.13469 179.7
[M+NH4]+ 337.17579 189.2
[M+K]+ 358.10513 178.6
[M+H-H2O]+ 302.13923 167.3
[M+HCOO]- 364.14017 194.1
[M+CH3COO]- 378.15582 206.9
[M+Na-2H]- 340.11664 174.6
[M]+ 319.14142 177.0
[M]- 319.14252 177.0
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.