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]+ 439.29552 210.3
[M+Na]+ 461.27746 213.1
[M-H]- 437.28096 218.3
[M+NH4]+ 456.32206 221.9
[M+K]+ 477.25140 210.3
[M+H-H2O]+ 421.28550 199.2
[M+HCOO]- 483.28644 227.1
[M+CH3COO]- 497.30209 236.4
[M+Na-2H]- 459.26291 209.9
[M]+ 438.28769 212.6
[M]- 438.28879 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.