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]+ 317.10198 165.9
[M+Na]+ 339.08392 177.7
[M-H]- 315.08742 174.8
[M+NH4]+ 334.12852 185.3
[M+K]+ 355.05786 176.5
[M+H-H2O]+ 299.09196 160.4
[M+HCOO]- 361.09290 187.5
[M+CH3COO]- 375.10855 207.5
[M+Na-2H]- 337.06937 170.3
[M]+ 316.09415 174.3
[M]- 316.09525 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.