CID 4087655

7-methoxy-4,5,11,11a-tetrahydrophenanthro[1,2-c]furan-1,3(3ah,3bh)-dione

Structural Information

Molecular Formula
C17H16O4
SMILES
COC1=CC2=C(C=C1)C3=CCC4C(C3CC2)C(=O)OC4=O
InChI
InChI=1S/C17H16O4/c1-20-10-3-5-11-9(8-10)2-4-13-12(11)6-7-14-15(13)17(19)21-16(14)18/h3,5-6,8,13-15H,2,4,7H2,1H3
InChIKey
FYCGVOHPPYSXFO-UHFFFAOYSA-N
Compound name
7-methoxy-3a,3b,4,5,11,11a-hexahydronaphtho[2,1-e][2]benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10486 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 160.6
[M+Na]+ 307.09408 169.3
[M-H]- 283.09758 167.4
[M+NH4]+ 302.13868 180.2
[M+K]+ 323.06802 166.1
[M+H-H2O]+ 267.10212 154.6
[M+HCOO]- 329.10306 176.8
[M+CH3COO]- 343.11871 172.8
[M+Na-2H]- 305.07953 164.4
[M]+ 284.10431 161.3
[M]- 284.10541 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.