CID 6433803

Benzoic acid, p-(4-piperidino-2-butenyl)-, (2-(diethylamino)ethyl) ester, dihydrochloride

Structural Information

Molecular Formula
C22H34N2O2
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)C/C=C/CN2CCCCC2
InChI
InChI=1S/C22H34N2O2/c1-3-23(4-2)18-19-26-22(25)21-13-11-20(12-14-21)10-6-9-17-24-15-7-5-8-16-24/h6,9,11-14H,3-5,7-8,10,15-19H2,1-2H3/b9-6+
InChIKey
OTWCVRBNAUOSDL-RMKNXTFCSA-N
Compound name
2-(diethylamino)ethyl 4-[(E)-4-piperidin-1-ylbut-2-enyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.26202 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.26930 192.9
[M+Na]+ 381.25124 193.3
[M-H]- 357.25474 196.9
[M+NH4]+ 376.29584 203.9
[M+K]+ 397.22518 189.8
[M+H-H2O]+ 341.25928 182.5
[M+HCOO]- 403.26022 210.2
[M+CH3COO]- 417.27587 220.9
[M+Na-2H]- 379.23669 191.5
[M]+ 358.26147 192.5
[M]- 358.26257 192.5
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.