CID 3047844

Pifenate

Structural Information

Molecular Formula
C22H27NO2
SMILES
CCOC(=O)C(CC1CCCCN1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-2-25-21(24)22(18-11-5-3-6-12-18,19-13-7-4-8-14-19)17-20-15-9-10-16-23-20/h3-8,11-14,20,23H,2,9-10,15-17H2,1H3
InChIKey
KSIVTSFSGVVBJQ-UHFFFAOYSA-N
Compound name
ethyl 2,2-diphenyl-3-piperidin-2-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

337.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 183.6
[M+Na]+ 360.19342 184.6
[M-H]- 336.19692 188.3
[M+NH4]+ 355.23802 193.6
[M+K]+ 376.16736 179.3
[M+H-H2O]+ 320.20146 173.5
[M+HCOO]- 382.20240 197.3
[M+CH3COO]- 396.21805 206.9
[M+Na-2H]- 358.17887 186.0
[M]+ 337.20365 177.9
[M]- 337.20475 177.9
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.