CID 206560

28143-75-1

Structural Information

Molecular Formula
C28H38N2O2
SMILES
CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H38N2O2/c1-23-20-28(25-16-10-7-11-17-25,32-26(31)24-14-8-6-9-15-24)27(2,21-29(23)3)22-30-18-12-4-5-13-19-30/h6-11,14-17,23H,4-5,12-13,18-22H2,1-3H3
InChIKey
BSCDJWKMHYFOFX-UHFFFAOYSA-N
Compound name
[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.29333 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.30061 212.4
[M+Na]+ 457.28255 213.2
[M-H]- 433.28605 220.6
[M+NH4]+ 452.32715 220.9
[M+K]+ 473.25649 211.5
[M+H-H2O]+ 417.29059 199.4
[M+HCOO]- 479.29153 222.5
[M+CH3COO]- 493.30718 217.5
[M+Na-2H]- 455.26800 209.7
[M]+ 434.29278 203.4
[M]- 434.29388 203.4
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.