CID 54126

3-benzyl-4-(2-diethylaminoethoxy)-2(5h)furanone

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCN(CC)CCOC1=C(C(=O)OC1)CC2=CC=CC=C2
InChI
InChI=1S/C17H23NO3/c1-3-18(4-2)10-11-20-16-13-21-17(19)15(16)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKey
SRRFVXXPVLEZRR-UHFFFAOYSA-N
Compound name
4-benzyl-3-[2-(diethylamino)ethoxy]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 169.8
[M+Na]+ 312.15702 180.8
[M+NH4]+ 307.20162 177.1
[M+K]+ 328.13096 175.9
[M-H]- 288.16052 174.8
[M+Na-2H]- 310.14247 175.4
[M]+ 289.16725 172.6
[M]- 289.16835 172.6
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.