CID 15003

2,2-diphenyl-2-ethoxyacetic acid (1-ethyl-3-piperidyl) ester hydrochloride

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC
InChI
InChI=1S/C23H29NO3/c1-3-24-17-11-16-21(18-24)27-22(25)23(26-4-2,19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,21H,3-4,11,16-18H2,1-2H3
InChIKey
FVZSLGASTVRWIX-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 191.4
[M+Na]+ 390.20397 193.1
[M-H]- 366.20747 197.6
[M+NH4]+ 385.24857 201.0
[M+K]+ 406.17791 189.2
[M+H-H2O]+ 350.21201 180.7
[M+HCOO]- 412.21295 206.4
[M+CH3COO]- 426.22860 215.4
[M+Na-2H]- 388.18942 193.0
[M]+ 367.21420 189.6
[M]- 367.21530 189.6
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.