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]+ 409.28496 204.4
[M+Na]+ 431.26690 202.1
[M-H]- 407.27040 210.7
[M+NH4]+ 426.31150 211.9
[M+K]+ 447.24084 198.8
[M+H-H2O]+ 391.27494 192.3
[M+HCOO]- 453.27588 219.2
[M+CH3COO]- 467.29153 230.5
[M+Na-2H]- 429.25235 201.8
[M]+ 408.27713 201.6
[M]- 408.27823 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.