CID 215768

36174-45-5

Structural Information

Molecular Formula
C27H38N2O3
SMILES
CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3)C)C)C
InChI
InChI=1S/C27H38N2O3/c1-6-29(7-2)21-26(4)20-28(5)22(3)18-27(26,23-14-10-8-11-15-23)32-25(30)19-31-24-16-12-9-13-17-24/h8-17,22H,6-7,18-21H2,1-5H3
InChIKey
DGLBZXBEPBAACL-UHFFFAOYSA-N
Compound name
[5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] 2-phenoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.28824 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.295516 210.3
[M+Na]+ 461.277458 213.1
[M-H]- 437.280964 218.3
[M+NH4]+ 456.322063 221.9
[M+K]+ 477.251398 210.3
[M+H-H2O]+ 421.285500 199.2
[M+HCOO]- 483.286441 227.1
[M+CH3COO]- 497.302091 236.4
[M+Na-2H]- 459.262906 209.9
[M]+ 438.28769142 212.6
[M]- 438.28878858 212.6
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.