CID 5351410

Chembl1740905

Structural Information

Molecular Formula
C26H31NO2
SMILES
CCN1CCC(C(C1)C(=O)/C=C/C2=CC=C(C=C2)C)(/C=C/C3=CC=C(C=C3)C)O
InChI
InChI=1S/C26H31NO2/c1-4-27-18-17-26(29,16-15-23-11-7-21(3)8-12-23)24(19-27)25(28)14-13-22-9-5-20(2)6-10-22/h5-16,24,29H,4,17-19H2,1-3H3/b14-13+,16-15+
InChIKey
YEYLFNINCAFXLC-ZBMVRHCNSA-N
Compound name
(E)-1-[1-ethyl-4-hydroxy-4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-3-yl]-3-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

389.23547 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.24275 199.2
[M+Na]+ 412.22469 203.6
[M-H]- 388.22819 205.0
[M+NH4]+ 407.26929 210.2
[M+K]+ 428.19863 196.3
[M+H-H2O]+ 372.23273 189.2
[M+HCOO]- 434.23367 213.6
[M+CH3COO]- 448.24932 220.4
[M+Na-2H]- 410.21014 196.9
[M]+ 389.23492 195.9
[M]- 389.23602 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.