CID 54693662

N-tert-butyl-3-hydroxy-2-methyl-5-oxo-4-(1-phenylethyl)furan-2-carboxamide

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC(C1=CC=CC=C1)C2=C(C(OC2=O)(C)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C18H23NO4/c1-11(12-9-7-6-8-10-12)13-14(20)18(5,23-15(13)21)16(22)19-17(2,3)4/h6-11,20H,1-5H3,(H,19,22)
InChIKey
QEMFELKWQZBUPG-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-hydroxy-2-methyl-5-oxo-4-(1-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 173.9
[M+Na]+ 340.15194 180.4
[M-H]- 316.15544 180.5
[M+NH4]+ 335.19654 190.2
[M+K]+ 356.12588 179.1
[M+H-H2O]+ 300.15998 168.8
[M+HCOO]- 362.16092 192.6
[M+CH3COO]- 376.17657 207.4
[M+Na-2H]- 338.13739 175.7
[M]+ 317.16217 175.9
[M]- 317.16327 175.9
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.