CID 3056638

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

Structural Information

Molecular Formula
C24H33N3O2
SMILES
CC1CC(C(CN1C)(C)CN(C)C)(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C24H33N3O2/c1-18-15-24(20-9-7-6-8-10-20,23(2,16-26(3)4)17-27(18)5)29-22(28)19-11-13-21(25)14-12-19/h6-14,18H,15-17,25H2,1-5H3
InChIKey
XPJKQWCCEOHLIQ-UHFFFAOYSA-N
Compound name
[5-[(dimethylamino)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

395.25726 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.26454 198.1
[M+Na]+ 418.24648 202.6
[M-H]- 394.24998 206.6
[M+NH4]+ 413.29108 211.4
[M+K]+ 434.22042 199.6
[M+H-H2O]+ 378.25452 188.1
[M+HCOO]- 440.25546 216.2
[M+CH3COO]- 454.27111 231.5
[M+Na-2H]- 416.23193 198.1
[M]+ 395.25671 196.9
[M]- 395.25781 196.9
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.