CID 131752910

Dihydroferuperine

Structural Information

Molecular Formula

C₁₇H₂₃NO₃

SMILES

COC1=CC(=CCC1O)/C=C\C=C\C(=O)N2CCCCC2

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/h3-4,7-9,13,15,19H,2,5-6,10-12H2,1H3/b7-3-,8-4+

InChIKey

PUYWOMGLUNDEFM-KYPMKJFLSA-N

Compound name

(2E,4Z)-5-(4-hydroxy-5-methoxycyclohexa-1,5-dien-1-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 289.1678 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	290.175076	170.7
[M+Na]+	312.157018	173.9
[M-H]-	288.160524	173.1
[M+NH4]+	307.201623	183.8
[M+K]+	328.130958	169.6
[M+H-H2O]+	272.165060	162.4
[M+HCOO]-	334.166001	185.7
[M+CH3COO]-	348.181651	197.5
[M+Na-2H]-	310.142466	170.2
[M]+	289.16725142	165.9
[M]-	289.16834858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe