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]+ 296.16451 171.7
[M+Na]+ 318.14645 176.2
[M-H]- 294.14995 178.9
[M+NH4]+ 313.19105 186.5
[M+K]+ 334.12039 172.2
[M+H-H2O]+ 278.15449 161.7
[M+HCOO]- 340.15543 189.7
[M+CH3COO]- 354.17108 181.7
[M+Na-2H]- 316.13190 175.4
[M]+ 295.15668 168.0
[M]- 295.15778 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.