CID 168354689

Ayldzyllyribsa-uhfffaoysa-n

Structural Information

Molecular Formula

C₂₂H₂₂O₇

SMILES

C1=CC=C2C(=C1)C3=C4C2=CC(C(C4=CC=C3)O)OC5C(C(C(C(O5)CO)O)O)O

InChI

InChI=1S/C22H22O7/c23-9-16-19(25)20(26)21(27)22(29-16)28-15-8-14-11-5-2-1-4-10(11)12-6-3-7-13(17(12)14)18(15)24/h1-8,15-16,18-27H,9H2

InChIKey

AYLDZYLLYRIBSA-UHFFFAOYSA-N

Compound name

2-[(3-hydroxy-2,3-dihydrofluoranthen-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 398.13657 Da
Monoisotopic Mass: 0.1
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]+	399.143846	189.0
[M+Na]+	421.125788	195.3
[M-H]-	397.129294	192.2
[M+NH4]+	416.170393	200.6
[M+K]+	437.099728	191.6
[M+H-H2O]+	381.133830	182.6
[M+HCOO]-	443.134771	196.9
[M+CH3COO]-	457.150421	196.9
[M+Na-2H]-	419.111236	189.7
[M]+	398.13602142	189.3
[M]-	398.13711858	189.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.