CID 39083

N,n-diethyl-5-oxo-4-phenyltetrahydro-2-furamide

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCN(CC)C(=O)C1CC(C(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-3-16(4-2)14(17)13-10-12(15(18)19-13)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKey
YLPSXLZZSBHXED-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-oxo-4-phenyloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 161.3
[M+Na]+ 284.12572 166.7
[M-H]- 260.12922 169.7
[M+NH4]+ 279.17032 178.6
[M+K]+ 300.09966 166.3
[M+H-H2O]+ 244.13376 154.2
[M+HCOO]- 306.13470 183.9
[M+CH3COO]- 320.15035 201.0
[M+Na-2H]- 282.11117 162.3
[M]+ 261.13595 162.7
[M]- 261.13705 162.7
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.