CID 3046645

62469-49-2

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CCN(CC)CC(CN1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H36N2O2/c1-3-27(4-2)20-24(21-28-18-12-7-13-19-28)30-26(29)25(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-6,8-11,14-17,24-25H,3-4,7,12-13,18-21H2,1-2H3
InChIKey
PFNNQTDEEBBIKV-UHFFFAOYSA-N
Compound name
[1-(diethylamino)-3-piperidin-1-ylpropan-2-yl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27768 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.284956 204.4
[M+Na]+ 431.266898 202.1
[M-H]- 407.270404 210.7
[M+NH4]+ 426.311503 211.9
[M+K]+ 447.240838 198.8
[M+H-H2O]+ 391.274940 192.3
[M+HCOO]- 453.275881 219.2
[M+CH3COO]- 467.291531 230.5
[M+Na-2H]- 429.252346 201.8
[M]+ 408.27713142 201.6
[M]- 408.27822858 201.6
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.