CID 317256

2-(4-methyl-3-pentenyl)anthraquinone

Structural Information

Molecular Formula

C₂₀H₁₈O₂

SMILES

CC(=CCCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C20H18O2/c1-13(2)6-5-7-14-10-11-17-18(12-14)20(22)16-9-4-3-8-15(16)19(17)21/h3-4,6,8-12H,5,7H2,1-2H3

InChIKey

NQVBCGTZRWHVSY-UHFFFAOYSA-N

Compound name

2-(4-methylpent-3-enyl)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 59
Patents: 290.13068 Da
Monoisotopic Mass: 5.8
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]+	291.137956	166.9
[M+Na]+	313.119898	175.4
[M-H]-	289.123404	172.2
[M+NH4]+	308.164503	184.9
[M+K]+	329.093838	169.6
[M+H-H2O]+	273.127940	159.7
[M+HCOO]-	335.128881	185.8
[M+CH3COO]-	349.144531	206.4
[M+Na-2H]-	311.105346	170.6
[M]+	290.13013142	168.2
[M]-	290.13122858	168.2

Literature stripe

literature stripe

Patent stripe

patents stripe