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]+ 302.13868 163.5
[M+Na]+ 324.12062 172.0
[M-H]- 300.12412 173.7
[M+NH4]+ 319.16522 175.4
[M+K]+ 340.09456 169.2
[M+H-H2O]+ 284.12866 157.9
[M+HCOO]- 346.12960 184.9
[M+CH3COO]- 360.14525 204.7
[M+Na-2H]- 322.10607 166.5
[M]+ 301.13085 167.8
[M]- 301.13195 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.