CID 51843

2-(2-(diethylamino)ethoxy)-2-phenylacetic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCN(CC)CCOC(C1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C16H25NO3/c1-4-17(5-2)12-13-20-15(16(18)19-6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3
InChIKey
RAPQVXNFEBLKJA-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(diethylamino)ethoxy]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 169.9
[M+Na]+ 302.17266 173.2
[M-H]- 278.17616 173.7
[M+NH4]+ 297.21726 185.9
[M+K]+ 318.14660 173.0
[M+H-H2O]+ 262.18070 162.0
[M+HCOO]- 324.18164 192.5
[M+CH3COO]- 338.19729 206.9
[M+Na-2H]- 300.15811 171.3
[M]+ 279.18289 175.1
[M]- 279.18399 175.1
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.