CID 91820203

Dechlorodehydrogriseofulvin

Structural Information

Molecular Formula
C17H16O6
SMILES
CC1=CC(=O)C=C([C@]12C(=O)C3=C(O2)C=C(C=C3OC)OC)OC
InChI
InChI=1S/C17H16O6/c1-9-5-10(18)6-14(22-4)17(9)16(19)15-12(21-3)7-11(20-2)8-13(15)23-17/h5-8H,1-4H3/t17-/m0/s1
InChIKey
CHQXBZFVCIIBRO-KRWDZBQOSA-N
Compound name
(2S)-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexa-2,5-diene]-1',3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

316.0947 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.101976 165.9
[M+Na]+ 339.083918 177.7
[M-H]- 315.087424 174.8
[M+NH4]+ 334.128523 185.3
[M+K]+ 355.057858 176.5
[M+H-H2O]+ 299.091960 160.4
[M+HCOO]- 361.092901 187.5
[M+CH3COO]- 375.108551 207.5
[M+Na-2H]- 337.069366 170.3
[M]+ 316.09415142 174.3
[M]- 316.09524858 174.3
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.