CID 3063780

101582-72-3

Structural Information

Molecular Formula
C17H21NO3
SMILES
CCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=CO2
InChI
InChI=1S/C17H21NO3/c1-3-18(4-2)13-16(14-9-6-5-7-10-14)21-17(19)15-11-8-12-20-15/h5-12,16H,3-4,13H2,1-2H3
InChIKey
FPIYSHHKCAOZSL-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-1-phenylethyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 170.8
[M+Na]+ 310.141348 174.9
[M-H]- 286.144854 178.8
[M+NH4]+ 305.185953 186.5
[M+K]+ 326.115288 174.8
[M+H-H2O]+ 270.149390 162.7
[M+HCOO]- 332.150331 194.3
[M+CH3COO]- 346.165981 205.5
[M+Na-2H]- 308.126796 172.6
[M]+ 287.15158142 175.0
[M]- 287.15267858 175.0
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.