CID 54693665

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

Structural Information

Molecular Formula
C17H19NO4
SMILES
CC1(C(=C(C(=O)O1)CCC2=CC=CC=C2)O)C(=O)NC3CC3
InChI
InChI=1S/C17H19NO4/c1-17(16(21)18-12-8-9-12)14(19)13(15(20)22-17)10-7-11-5-3-2-4-6-11/h2-6,12,19H,7-10H2,1H3,(H,18,21)
InChIKey
HZBNDQIFNADHPM-UHFFFAOYSA-N
Compound name
N-cyclopropyl-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

301.1314 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.138676 163.5
[M+Na]+ 324.120618 172.0
[M-H]- 300.124124 173.7
[M+NH4]+ 319.165223 175.4
[M+K]+ 340.094558 169.2
[M+H-H2O]+ 284.128660 157.9
[M+HCOO]- 346.129601 184.9
[M+CH3COO]- 360.145251 204.7
[M+Na-2H]- 322.106066 166.5
[M]+ 301.13085142 167.8
[M]- 301.13194858 167.8
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.