CID 3010255

Chembl117160

Structural Information

Molecular Formula
C34H44N2O3
SMILES
CCN(C1CCN(CC1)CCC(CC(C)OCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C34H44N2O3/c1-3-36(34(37)39-27-30-15-9-5-10-16-30)33-20-23-35(24-21-33)22-19-32(31-17-11-6-12-18-31)25-28(2)38-26-29-13-7-4-8-14-29/h4-18,28,32-33H,3,19-27H2,1-2H3
InChIKey
DXVIZQRYEHUENT-UHFFFAOYSA-N
Compound name
benzyl N-ethyl-N-[1-(3-phenyl-5-phenylmethoxyhexyl)piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

528.3352 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.34248 235.1
[M+Na]+ 551.32442 230.9
[M-H]- 527.32792 243.4
[M+NH4]+ 546.36902 236.9
[M+K]+ 567.29836 226.5
[M+H-H2O]+ 511.33246 220.6
[M+HCOO]- 573.33340 248.2
[M+CH3COO]- 587.34905 251.8
[M+Na-2H]- 549.30987 230.2
[M]+ 528.33465 233.4
[M]- 528.33575 233.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.