CID 54693666

3-hydroxy-n,2-dimethyl-5-oxo-4-(1-phenylethyl)furan-2-carboxamide

Structural Information

Molecular Formula
C15H17NO4
SMILES
CC(C1=CC=CC=C1)C2=C(C(OC2=O)(C)C(=O)NC)O
InChI
InChI=1S/C15H17NO4/c1-9(10-7-5-4-6-8-10)11-12(17)15(2,14(19)16-3)20-13(11)18/h4-9,17H,1-3H3,(H,16,19)
InChIKey
FNBQDPNRZQTMNS-UHFFFAOYSA-N
Compound name
3-hydroxy-N,2-dimethyl-5-oxo-4-(1-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.11575 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 161.6
[M+Na]+ 298.10497 168.9
[M-H]- 274.10847 168.4
[M+NH4]+ 293.14957 179.3
[M+K]+ 314.07891 167.6
[M+H-H2O]+ 258.11301 156.1
[M+HCOO]- 320.11395 182.8
[M+CH3COO]- 334.12960 198.7
[M+Na-2H]- 296.09042 163.6
[M]+ 275.11520 163.1
[M]- 275.11630 163.1
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.