CID 5271147

7h-naphtho[2',3':5,6]pyrano[4,3-b]benzofuran-5,13-dione, 7a,12a-dihydro-9,10-dihydroxy-

Structural Information

Molecular Formula
C19H12O6
SMILES
C1C2C(C3=C(O1)C(=O)C4=CC=CC=C4C3=O)OC5=CC(=C(C=C25)O)O
InChI
InChI=1S/C19H12O6/c20-12-5-10-11-7-24-19-15(18(11)25-14(10)6-13(12)21)16(22)8-3-1-2-4-9(8)17(19)23/h1-6,11,18,20-21H,7H2
InChIKey
AUWKQWPZURTNLP-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-3,12-dioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,15,17,19-heptaene-14,21-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.0634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.070676 169.8
[M+Na]+ 359.052618 180.3
[M-H]- 335.056124 176.7
[M+NH4]+ 354.097223 185.6
[M+K]+ 375.026558 177.4
[M+H-H2O]+ 319.060660 163.8
[M+HCOO]- 381.061601 182.5
[M+CH3COO]- 395.077251 181.3
[M+Na-2H]- 357.038066 175.0
[M]+ 336.06285142 172.4
[M]- 336.06394858 172.4
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.