CID 71358480

204134-70-3

Structural Information

Molecular Formula

C₂₀H₁₄O₃

SMILES

COC1=CC2=CC=CC3=C2C(=C(C=C3)C4=CC=C(C=C4)O)C1=O

InChI

InChI=1S/C20H14O3/c1-23-17-11-14-4-2-3-13-7-10-16(19(18(13)14)20(17)22)12-5-8-15(21)9-6-12/h2-11,21H,1H3

InChIKey

PXMSSFOVGYLJLV-UHFFFAOYSA-N

Compound name

9-(4-hydroxyphenyl)-2-methoxyphenalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 302.0943 Da
Monoisotopic Mass: 4.6
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]+	303.10158	169.0
[M+Na]+	325.08352	178.5
[M-H]-	301.08702	176.1
[M+NH4]+	320.12812	185.7
[M+K]+	341.05746	173.0
[M+H-H2O]+	285.09156	160.5
[M+HCOO]-	347.09250	188.4
[M+CH3COO]-	361.10815	180.8
[M+Na-2H]-	323.06897	175.3
[M]+	302.09375	171.5
[M]-	302.09485	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe