CID 11630663

(e)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one

Structural Information

Molecular Formula
C17H23NO3
SMILES
COC1=C(C=CC(=C1)CC/C=C/C(=O)N2CCCCC2)O
InChI
InChI=1S/C17H23NO3/c1-21-16-13-14(9-10-15(16)19)7-3-4-8-17(20)18-11-5-2-6-12-18/h4,8-10,13,19H,2-3,5-7,11-12H2,1H3/b8-4+
InChIKey
VHTQQWCWSZHGTL-XBXARRHUSA-N
Compound name
(E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

289.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 170.2
[M+Na]+ 312.157018 174.1
[M-H]- 288.160524 172.9
[M+NH4]+ 307.201623 183.4
[M+K]+ 328.130958 170.1
[M+H-H2O]+ 272.165060 161.7
[M+HCOO]- 334.166001 186.5
[M+CH3COO]- 348.181651 198.5
[M+Na-2H]- 310.142466 170.7
[M]+ 289.16725142 167.6
[M]- 289.16834858 167.6
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

patents stripe