CID 3056640

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

Structural Information

Molecular Formula
C28H41N3O2
SMILES
CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N)C)C)C
InChI
InChI=1S/C28H41N3O2/c1-6-17-31(18-7-2)21-27(4)20-30(5)22(3)19-28(27,24-11-9-8-10-12-24)33-26(32)23-13-15-25(29)16-14-23/h8-16,22H,6-7,17-21,29H2,1-5H3
InChIKey
TYTHLAHXLFAYAQ-UHFFFAOYSA-N
Compound name
[5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.3199 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.32718 214.9
[M+Na]+ 474.30912 225.6
[M+NH4]+ 469.35372 223.7
[M+K]+ 490.28306 214.0
[M-H]- 450.31262 221.2
[M+Na-2H]- 472.29457 224.2
[M]+ 451.31935 218.5
[M]- 451.32045 218.5
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.