CID 24842694

102476-73-3

Structural Information

Molecular Formula
C22H27NO3
SMILES
CCOC1=CC=CC=C1C(=O)OC(CN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO3/c1-2-25-20-14-8-7-13-19(20)22(24)26-21(18-11-5-3-6-12-18)17-23-15-9-4-10-16-23/h3,5-8,11-14,21H,2,4,9-10,15-17H2,1H3
InChIKey
ZNWDLSRNZQLDRR-UHFFFAOYSA-N
Compound name
(1-phenyl-2-piperidin-1-ylethyl) 2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.1
[M+Na]+ 376.18832 188.5
[M-H]- 352.19182 193.2
[M+NH4]+ 371.23292 197.0
[M+K]+ 392.16226 184.8
[M+H-H2O]+ 336.19636 176.1
[M+HCOO]- 398.19730 203.0
[M+CH3COO]- 412.21295 212.9
[M+Na-2H]- 374.17377 187.2
[M]+ 353.19855 184.7
[M]- 353.19965 184.7
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.