CID 488952

2(3h)-furanone, 5-ethyl(2-hydroxyethyl)amino-methyl-dihydro-3,3-diphenyl-

Structural Information

Molecular Formula
C21H25NO3
SMILES
CCN(CCO)CC1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO3/c1-2-22(13-14-23)16-19-15-21(20(24)25-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,23H,2,13-16H2,1H3
InChIKey
YFMOVDVQNKJSTE-UHFFFAOYSA-N
Compound name
5-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 182.3
[M+Na]+ 362.17266 186.9
[M-H]- 338.17616 192.1
[M+NH4]+ 357.21726 197.3
[M+K]+ 378.14660 184.2
[M+H-H2O]+ 322.18070 174.0
[M+HCOO]- 384.18164 203.5
[M+CH3COO]- 398.19729 212.3
[M+Na-2H]- 360.15811 184.2
[M]+ 339.18289 183.1
[M]- 339.18399 183.1
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.