CID 624199

Cyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2h)-trione, 1,7,8,11b-tetrahydro-1-hydroxy-2-methoxy-11b-methyl-, [1s-(1.alpha.,2.alpha.,11b.alpha.)]-

Structural Information

Molecular Formula
C20H16O6
SMILES
CC12C(C(C(=O)C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)OC)O
InChI
InChI=1S/C20H16O6/c1-20-11-5-3-8-9(4-6-12(8)21)13(11)16(23)17-14(20)10(7-26-17)15(22)18(25-2)19(20)24/h3,5,7,18-19,24H,4,6H2,1-2H3
InChIKey
YEIGUXGHHKAURB-UHFFFAOYSA-N
Compound name
18-hydroxy-17-methoxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11,16-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

4550
Patents

352.0947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 175.9
[M+Na]+ 375.08392 187.0
[M-H]- 351.08742 182.8
[M+NH4]+ 370.12852 197.3
[M+K]+ 391.05786 183.0
[M+H-H2O]+ 335.09196 171.8
[M+HCOO]- 397.09290 190.0
[M+CH3COO]- 411.10855 187.9
[M+Na-2H]- 373.06937 178.0
[M]+ 352.09415 181.1
[M]- 352.09525 181.1
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

patents stripe