CID 6447503

76691-29-7

Structural Information

Molecular Formula
C22H25NO3
SMILES
C/C(=C\C1=CC=C(C=C1)OC)/C(=O)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H25NO3/c1-17(16-18-8-10-20(26-2)11-9-18)21(24)23-14-12-22(25,13-15-23)19-6-4-3-5-7-19/h3-11,16,25H,12-15H2,1-2H3/b17-16+
InChIKey
ZUBUUTPRIZDRFQ-WUKNDPDISA-N
Compound name
(E)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-2-methylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.190716 186.8
[M+Na]+ 374.172658 190.3
[M-H]- 350.176164 192.6
[M+NH4]+ 369.217263 198.7
[M+K]+ 390.146598 185.7
[M+H-H2O]+ 334.180700 177.1
[M+HCOO]- 396.181641 201.6
[M+CH3COO]- 410.197291 209.9
[M+Na-2H]- 372.158106 186.9
[M]+ 351.18289142 182.8
[M]- 351.18398858 182.8
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.