CID 206924

28867-22-3

Structural Information

Molecular Formula
C24H38N2O2
SMILES
CCC(=O)OC1(CC(N(CC1(C)CN2CCCCCC2)C)C)C3=CC=CC=C3
InChI
InChI=1S/C24H38N2O2/c1-5-22(27)28-24(21-13-9-8-10-14-21)17-20(2)25(4)18-23(24,3)19-26-15-11-6-7-12-16-26/h8-10,13-14,20H,5-7,11-12,15-19H2,1-4H3
InChIKey
IVUKBEBOXFTEJC-UHFFFAOYSA-N
Compound name
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.29333 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.30061 196.5
[M+Na]+ 409.28255 197.5
[M-H]- 385.28605 202.2
[M+NH4]+ 404.32715 207.7
[M+K]+ 425.25649 197.2
[M+H-H2O]+ 369.29059 185.5
[M+HCOO]- 431.29153 206.8
[M+CH3COO]- 445.30718 220.5
[M+Na-2H]- 407.26800 194.3
[M]+ 386.29278 189.0
[M]- 386.29388 189.0
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.