CID 3048572

Nu-1304

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCC(=O)OC1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-2-20(23)24-21(19-11-7-4-8-12-19)13-15-22(16-14-21)17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKey
SQJNFNXAUDENKO-UHFFFAOYSA-N
Compound name
(1-benzyl-4-phenylpiperidin-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

323.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 180.6
[M+Na]+ 346.17776 184.1
[M-H]- 322.18126 187.4
[M+NH4]+ 341.22236 194.1
[M+K]+ 362.15170 179.7
[M+H-H2O]+ 306.18580 170.2
[M+HCOO]- 368.18674 197.8
[M+CH3COO]- 382.20239 206.6
[M+Na-2H]- 344.16321 183.2
[M]+ 323.18799 177.5
[M]- 323.18909 177.5
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

patents stripe