CID 214316

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

Structural Information

Molecular Formula
C26H33N3O5
SMILES
CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C26H33N3O5/c1-20-17-26(22-7-5-4-6-8-22,34-24(30)21-9-11-23(12-10-21)29(31)32)25(2,18-27(20)3)19-28-13-15-33-16-14-28/h4-12,20H,13-19H2,1-3H3
InChIKey
FDGOFYDXWYXIQP-UHFFFAOYSA-N
Compound name
[1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.24203 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.249306 214.7
[M+Na]+ 490.231248 215.4
[M-H]- 466.234754 223.3
[M+NH4]+ 485.275853 220.1
[M+K]+ 506.205188 209.1
[M+H-H2O]+ 450.239290 206.1
[M+HCOO]- 512.240231 225.6
[M+CH3COO]- 526.255881 228.4
[M+Na-2H]- 488.216696 216.5
[M]+ 467.24148142 209.1
[M]- 467.24257858 209.1
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.