CID 91820336

Desmethyl-dehydro-dechlorogriseofulvin

Structural Information

Molecular Formula
C16H14O6
SMILES
CC1=CC(=O)C=C([C@]12C(=O)C3=C(C=C(C=C3O2)OC)O)OC
InChI
InChI=1S/C16H14O6/c1-8-4-9(17)5-13(21-3)16(8)15(19)14-11(18)6-10(20-2)7-12(14)22-16/h4-7,18H,1-3H3/t16-/m0/s1
InChIKey
FDUZTVVNKDZMKG-INIZCTEOSA-N
Compound name
(2S)-4-hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexa-2,5-diene]-1',3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

302.07904 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 164.3
[M+Na]+ 325.06826 177.3
[M+NH4]+ 320.11286 172.6
[M+K]+ 341.04220 172.4
[M-H]- 301.07176 167.3
[M+Na-2H]- 323.05371 168.8
[M]+ 302.07849 167.0
[M]- 302.07959 167.0
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.