CID 5271144

7h-naphtho[2'',3'':5',6']pyrano[3',4':4,5]furo[2,3-g][1,4]benzodioxin-5,15-dione, 7a,10,11,14a-tetrahydro-

Structural Information

Molecular Formula
C21H14O6
SMILES
C1COC2=C(O1)C=C3C4COC5=C(C4OC3=C2)C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C21H14O6/c22-18-10-3-1-2-4-11(10)19(23)21-17(18)20-13(9-26-21)12-7-15-16(8-14(12)27-20)25-6-5-24-15/h1-4,7-8,13,20H,5-6,9H2
InChIKey
UIJPAOWOUBEDQH-UHFFFAOYSA-N
Compound name
12,18,21,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.017,22]pentacosa-2(11),4,6,8,15,17(22),23-heptaene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.07904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08632 174.5
[M+Na]+ 385.06826 183.6
[M-H]- 361.07176 184.7
[M+NH4]+ 380.11286 187.9
[M+K]+ 401.04220 183.3
[M+H-H2O]+ 345.07630 167.1
[M+HCOO]- 407.07724 184.2
[M+CH3COO]- 421.09289 185.5
[M+Na-2H]- 383.05371 180.5
[M]+ 362.07849 177.2
[M]- 362.07959 177.2
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

Patent stripe

No patent data available for this compound.