CID 3056644

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

Structural Information

Molecular Formula
C26H35N3O3
SMILES
CC1CC(C(CN1C)(C)CN2CCOCC2)(C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C26H35N3O3/c1-20-17-26(22-7-5-4-6-8-22,32-24(30)21-9-11-23(27)12-10-21)25(2,18-28(20)3)19-29-13-15-31-16-14-29/h4-12,20H,13-19,27H2,1-3H3
InChIKey
IZISWPDIVRLFFF-UHFFFAOYSA-N
Compound name
[1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.26785 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.27513 211.1
[M+Na]+ 460.25707 213.7
[M-H]- 436.26057 219.4
[M+NH4]+ 455.30167 218.6
[M+K]+ 476.23101 210.4
[M+H-H2O]+ 420.26511 198.3
[M+HCOO]- 482.26605 221.8
[M+CH3COO]- 496.28170 217.1
[M+Na-2H]- 458.24252 210.0
[M]+ 437.26730 205.5
[M]- 437.26840 205.5
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.