CID 47003229

Ethyl (3r)-3-(acetyloxy)-3-[4-(benzyloxy)phenyl]propanoate

Structural Information

Molecular Formula
C20H22O5
SMILES
CCOC(=O)C[C@H](C1=CC=C(C=C1)OCC2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C20H22O5/c1-3-23-20(22)13-19(25-15(2)21)17-9-11-18(12-10-17)24-14-16-7-5-4-6-8-16/h4-12,19H,3,13-14H2,1-2H3/t19-/m1/s1
InChIKey
XXLMHBSEKREMAQ-LJQANCHMSA-N
Compound name
ethyl (3R)-3-acetyloxy-3-(4-phenylmethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14673 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 181.7
[M+Na]+ 365.13595 185.9
[M-H]- 341.13945 187.6
[M+NH4]+ 360.18055 194.3
[M+K]+ 381.10989 184.1
[M+H-H2O]+ 325.14399 172.8
[M+HCOO]- 387.14493 202.4
[M+CH3COO]- 401.16058 210.9
[M+Na-2H]- 363.12140 182.3
[M]+ 342.14618 186.9
[M]- 342.14728 186.9
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.