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 185.1
[M+Na]+ 403.11520 192.4
[M-H]- 379.11870 189.8
[M+NH4]+ 398.15980 198.1
[M+K]+ 419.08914 188.2
[M+H-H2O]+ 363.12324 178.3
[M+HCOO]- 425.12418 196.1
[M+CH3COO]- 439.13983 194.1
[M+Na-2H]- 401.10065 187.4
[M]+ 380.12543 186.6
[M]- 380.12653 186.6
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.