CID 620368

Dihydrogriseofulvin

Structural Information

Molecular Formula
C17H19ClO6
SMILES
CC1CC(=O)CC(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
InChI
InChI=1S/C17H19ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h7-8,12H,5-6H2,1-4H3
InChIKey
IIUZTXTZRGLYTI-UHFFFAOYSA-N
Compound name
7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohexane]-1',3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37316
Patents

354.087 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09428 174.6
[M+Na]+ 377.07622 185.9
[M-H]- 353.07972 182.8
[M+NH4]+ 372.12082 193.4
[M+K]+ 393.05016 183.4
[M+H-H2O]+ 337.08426 170.4
[M+HCOO]- 399.08520 188.6
[M+CH3COO]- 413.10085 213.3
[M+Na-2H]- 375.06167 176.1
[M]+ 354.08645 182.6
[M]- 354.08755 182.6
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

patents stripe