CID 199364

4071-27-6

Structural Information

Molecular Formula
C28H31NO2
SMILES
CC(CN1CCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H31NO2/c1-23(22-29-20-12-5-13-21-29)28(25-16-8-3-9-17-25,26-18-10-4-11-19-26)31-27(30)24-14-6-2-7-15-24/h2-4,6-11,14-19,23H,5,12-13,20-22H2,1H3
InChIKey
NKPZGZLZNVEAIB-UHFFFAOYSA-N
Compound name
(2-methyl-1,1-diphenyl-3-piperidin-1-ylpropyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.23547 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.242746 203.2
[M+Na]+ 436.224688 202.7
[M-H]- 412.228194 211.4
[M+NH4]+ 431.269293 209.6
[M+K]+ 452.198628 197.0
[M+H-H2O]+ 396.232730 190.8
[M+HCOO]- 458.233671 216.2
[M+CH3COO]- 472.249321 223.9
[M+Na-2H]- 434.210136 204.0
[M]+ 413.23492142 197.6
[M]- 413.23601858 197.6
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.