CID 5271145

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

Structural Information

Molecular Formula
C20H14O6
SMILES
COC1=C(C=C2C3COC4=C(C3OC2=C1)C(=O)C5=CC=CC=C5C4=O)O
InChI
InChI=1S/C20H14O6/c1-24-15-7-14-11(6-13(15)21)12-8-25-20-16(19(12)26-14)17(22)9-4-2-3-5-10(9)18(20)23/h2-7,12,19,21H,8H2,1H3
InChIKey
NTDNCHOZRIMURF-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methoxy-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

350.07904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08632 174.6
[M+Na]+ 373.06826 185.0
[M-H]- 349.07176 182.5
[M+NH4]+ 368.11286 190.4
[M+K]+ 389.04220 182.6
[M+H-H2O]+ 333.07630 168.0
[M+HCOO]- 395.07724 188.4
[M+CH3COO]- 409.09289 186.2
[M+Na-2H]- 371.05371 179.5
[M]+ 350.07849 179.0
[M]- 350.07959 179.0
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.