CID 4347659

1-(2-hydroxyethyl)-4-piperidinyl diphenylacetate

Structural Information

Molecular Formula
C21H25NO3
SMILES
C1CN(CCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCO
InChI
InChI=1S/C21H25NO3/c23-16-15-22-13-11-19(12-14-22)25-21(24)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,23H,11-16H2
InChIKey
JQTRZESJAGOXTL-UHFFFAOYSA-N
Compound name
[1-(2-hydroxyethyl)piperidin-4-yl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 182.5
[M+Na]+ 362.17266 184.0
[M-H]- 338.17616 187.6
[M+NH4]+ 357.21726 192.4
[M+K]+ 378.14660 179.7
[M+H-H2O]+ 322.18070 172.1
[M+HCOO]- 384.18164 197.3
[M+CH3COO]- 398.19729 207.6
[M+Na-2H]- 360.15811 182.8
[M]+ 339.18289 178.1
[M]- 339.18399 178.1
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.