CID 73603

Neotenone

Structural Information

Molecular Formula
C19H14O6
SMILES
COC1=CC2=C(C=C1C3COC4=C(C3=O)C=C5C=COC5=C4)OCO2
InChI
InChI=1S/C19H14O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-7,13H,8-9H2,1H3
InChIKey
JZNIBAUSQWDFGE-UHFFFAOYSA-N
Compound name
6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

338.07904 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 171.3
[M+Na]+ 361.06826 182.3
[M-H]- 337.07176 184.5
[M+NH4]+ 356.11286 186.3
[M+K]+ 377.04220 183.2
[M+H-H2O]+ 321.07630 167.0
[M+HCOO]- 383.07724 189.1
[M+CH3COO]- 397.09289 184.8
[M+Na-2H]- 359.05371 176.4
[M]+ 338.07849 179.4
[M]- 338.07959 179.4
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