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]+ 337.07068 169.8
[M+Na]+ 359.05262 180.3
[M-H]- 335.05612 176.7
[M+NH4]+ 354.09722 185.6
[M+K]+ 375.02656 177.4
[M+H-H2O]+ 319.06066 163.8
[M+HCOO]- 381.06160 182.5
[M+CH3COO]- 395.07725 181.3
[M+Na-2H]- 357.03807 175.0
[M]+ 336.06285 172.4
[M]- 336.06395 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.