CID 206898

28866-22-0

Structural Information

Molecular Formula
C23H38N2O2
SMILES
CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C)C)C)C
InChI
InChI=1S/C23H38N2O2/c1-7-14-25(15-8-2)18-22(5)17-24(6)19(3)16-23(22,27-20(4)26)21-12-10-9-11-13-21/h9-13,19H,7-8,14-18H2,1-6H3
InChIKey
DRVCNWAHZWZXOL-UHFFFAOYSA-N
Compound name
[5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.29333 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.300606 193.5
[M+Na]+ 397.282548 197.1
[M-H]- 373.286054 198.8
[M+NH4]+ 392.327153 208.8
[M+K]+ 413.256488 195.0
[M+H-H2O]+ 357.290590 185.2
[M+HCOO]- 419.291531 210.4
[M+CH3COO]- 433.307181 226.8
[M+Na-2H]- 395.267996 193.0
[M]+ 374.29278142 195.9
[M]- 374.29387858 195.9
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.