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]+ 414.24275 203.2
[M+Na]+ 436.22469 202.7
[M-H]- 412.22819 211.4
[M+NH4]+ 431.26929 209.6
[M+K]+ 452.19863 197.0
[M+H-H2O]+ 396.23273 190.8
[M+HCOO]- 458.23367 216.2
[M+CH3COO]- 472.24932 223.9
[M+Na-2H]- 434.21014 204.0
[M]+ 413.23492 197.6
[M]- 413.23602 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.