CID 3048589

Nu-1820

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCCCN1CCC(CC1)(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-2-3-16-24-17-14-23(15-18-24,21-12-8-5-9-13-21)26-22(25)19-20-10-6-4-7-11-20/h4-13H,2-3,14-19H2,1H3
InChIKey
JKIPZOCNJXSURA-UHFFFAOYSA-N
Compound name
(1-butyl-4-phenylpiperidin-4-yl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 189.4
[M+Na]+ 374.20904 192.0
[M-H]- 350.21254 195.7
[M+NH4]+ 369.25364 201.7
[M+K]+ 390.18298 187.1
[M+H-H2O]+ 334.21708 178.5
[M+HCOO]- 396.21802 205.9
[M+CH3COO]- 410.23367 212.5
[M+Na-2H]- 372.19449 190.9
[M]+ 351.21927 186.9
[M]- 351.22037 186.9
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.