CID 215770

36174-46-6

Structural Information

Molecular Formula
C29H40N2O3
SMILES
CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C29H40N2O3/c1-24-20-29(25-14-8-6-9-15-25,34-27(32)21-33-26-16-10-7-11-17-26)28(2,22-30(24)3)23-31-18-12-4-5-13-19-31/h6-11,14-17,24H,4-5,12-13,18-23H2,1-3H3
InChIKey
FPFOLQCROHLHFX-UHFFFAOYSA-N
Compound name
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.3039 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.31118 219.1
[M+Na]+ 487.29312 219.3
[M-H]- 463.29662 227.1
[M+NH4]+ 482.33772 226.4
[M+K]+ 503.26706 218.3
[M+H-H2O]+ 447.30116 205.9
[M+HCOO]- 509.30210 229.0
[M+CH3COO]- 523.31775 223.7
[M+Na-2H]- 485.27857 216.2
[M]+ 464.30335 211.8
[M]- 464.30445 211.8
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.