CID 54693679

2-furancarboxamide, 2,5-dihydro-3-hydroxy-4-(methylamino)-5-oxo-2-(2-phenylethyl)-n-[(tetrahydro-2-furanyl)methyl]-

Structural Information

Molecular Formula
C19H24N2O5
SMILES
CNC1=C(C(OC1=O)(CCC2=CC=CC=C2)C(=O)NCC3CCCO3)O
InChI
InChI=1S/C19H24N2O5/c1-20-15-16(22)19(26-17(15)23,10-9-13-6-3-2-4-7-13)18(24)21-12-14-8-5-11-25-14/h2-4,6-7,14,20,22H,5,8-12H2,1H3,(H,21,24)
InChIKey
QNZBIBTWMZACKH-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(methylamino)-5-oxo-N-(oxolan-2-ylmethyl)-2-(2-phenylethyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.16852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.17580 183.6
[M+Na]+ 383.15774 187.4
[M-H]- 359.16124 193.1
[M+NH4]+ 378.20234 197.2
[M+K]+ 399.13168 186.3
[M+H-H2O]+ 343.16578 177.3
[M+HCOO]- 405.16672 203.9
[M+CH3COO]- 419.18237 214.5
[M+Na-2H]- 381.14319 184.3
[M]+ 360.16797 183.9
[M]- 360.16907 183.9
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.