CID 206562

4-piperidinol, 5-diethylaminomethyl-4-phenyl-1,2,5-trimethyl-, p-nitrobenzoate, dihydrochloride

Structural Information

Molecular Formula
C26H35N3O4
SMILES
CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C)C)C
InChI
InChI=1S/C26H35N3O4/c1-6-28(7-2)19-25(4)18-27(5)20(3)17-26(25,22-11-9-8-10-12-22)33-24(30)21-13-15-23(16-14-21)29(31)32/h8-16,20H,6-7,17-19H2,1-5H3
InChIKey
QOADCCVCXBZXHZ-UHFFFAOYSA-N
Compound name
[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.26276 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.27004 209.7
[M+Na]+ 476.25198 221.6
[M+NH4]+ 471.29658 218.1
[M+K]+ 492.22592 213.5
[M-H]- 452.25548 216.3
[M+Na-2H]- 474.23743 219.0
[M]+ 453.26221 213.4
[M]- 453.26331 213.4
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.