CID 217408

Nu-849

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c1-20-14-12-19(13-15-20,17-10-6-3-7-11-17)22-18(21)16-8-4-2-5-9-16/h2-11H,12-15H2,1H3
InChIKey
LUZBNAYUEOTTJP-UHFFFAOYSA-N
Compound name
(1-methyl-4-phenylpiperidin-4-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 171.7
[M+Na]+ 318.146448 176.2
[M-H]- 294.149954 178.9
[M+NH4]+ 313.191053 186.5
[M+K]+ 334.120388 172.2
[M+H-H2O]+ 278.154490 161.7
[M+HCOO]- 340.155431 189.7
[M+CH3COO]- 354.171081 181.7
[M+Na-2H]- 316.131896 175.4
[M]+ 295.15668142 168.0
[M]- 295.15777858 168.0
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.