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]+ 290.17508 170.2
[M+Na]+ 312.15702 174.1
[M-H]- 288.16052 172.9
[M+NH4]+ 307.20162 183.4
[M+K]+ 328.13096 170.1
[M+H-H2O]+ 272.16506 161.7
[M+HCOO]- 334.16600 186.5
[M+CH3COO]- 348.18165 198.5
[M+Na-2H]- 310.14247 170.7
[M]+ 289.16725 167.6
[M]- 289.16835 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.