CID 62504

N-ethyl-3-piperidyl benzilate

Structural Information

Molecular Formula
C21H25NO3
SMILES
CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO3/c1-2-22-15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,2,9,14-16H2,1H3
InChIKey
OJYOTLHNSMYONM-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

115
Patents

339.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 183.1
[M+Na]+ 362.17266 195.4
[M+NH4]+ 357.21726 190.1
[M+K]+ 378.14660 188.5
[M-H]- 338.17616 187.5
[M+Na-2H]- 360.15811 191.5
[M]+ 339.18289 186.1
[M]- 339.18399 186.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe