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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 190.8
[M+Na]+ 421.12579 202.4
[M+NH4]+ 416.17039 197.5
[M+K]+ 437.09973 199.4
[M-H]- 397.12929 194.0
[M+Na-2H]- 419.11124 190.3
[M]+ 398.13602 193.2
[M]- 398.13712 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.