CID 168354697

7-o-glucuronide-fluoranthene

Structural Information

Molecular Formula
C22H20O6
SMILES
C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O
InChI
InChI=1S/C22H20O6/c23-10-17-19(24)20(25)21(26)22(28-17)27-12-7-8-13-14-5-1-3-11-4-2-6-15(18(11)14)16(13)9-12/h1-9,17,19-26H,10H2
InChIKey
NMRVFGXSNNDVGI-UHFFFAOYSA-N
Compound name
2-fluoranthen-8-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.12598 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13326 187.1
[M+Na]+ 403.11520 200.3
[M+NH4]+ 398.15980 194.8
[M+K]+ 419.08914 196.1
[M-H]- 379.11870 191.4
[M+Na-2H]- 401.10065 188.6
[M]+ 380.12543 190.2
[M]- 380.12653 190.2
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

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No patent data available for this compound.