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 169.9
[M+Na]+ 312.15702 175.4
[M-H]- 288.16052 178.1
[M+NH4]+ 307.20162 186.2
[M+K]+ 328.13096 174.4
[M+H-H2O]+ 272.16506 162.1
[M+HCOO]- 334.16600 194.0
[M+CH3COO]- 348.18165 207.1
[M+Na-2H]- 310.14247 172.0
[M]+ 289.16725 174.9
[M]- 289.16835 174.9
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.