CID 386320

Meliternatin

Structural Information

Molecular Formula
C19H14O8
SMILES
COC1=C2C(=CC3=C1OCO3)OC(=C(C2=O)OC)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C19H14O8/c1-21-18-14-12(6-13-17(18)26-8-25-13)27-16(19(22-2)15(14)20)9-3-4-10-11(5-9)24-7-23-10/h3-6H,7-8H2,1-2H3
InChIKey
FMZYQDFWORSVBZ-UHFFFAOYSA-N
Compound name
6-(1,3-benzodioxol-5-yl)-7,9-dimethoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

370.06888 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07616 178.2
[M+Na]+ 393.05810 189.6
[M-H]- 369.06160 192.3
[M+NH4]+ 388.10270 190.5
[M+K]+ 409.03204 192.8
[M+H-H2O]+ 353.06614 174.5
[M+HCOO]- 415.06708 195.1
[M+CH3COO]- 429.08273 191.6
[M+Na-2H]- 391.04355 183.4
[M]+ 370.06833 190.1
[M]- 370.06943 190.1
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