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]+ 468.24931 214.7
[M+Na]+ 490.23125 215.4
[M-H]- 466.23475 223.3
[M+NH4]+ 485.27585 220.1
[M+K]+ 506.20519 209.1
[M+H-H2O]+ 450.23929 206.1
[M+HCOO]- 512.24023 225.6
[M+CH3COO]- 526.25588 228.4
[M+Na-2H]- 488.21670 216.5
[M]+ 467.24148 209.1
[M]- 467.24258 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.