CID 14135678

Exo-dehydrochalepin

Structural Information

Molecular Formula
C19H20O3
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C
InChI
InChI=1S/C19H20O3/c1-6-19(4,5)14-8-12-7-13-9-15(11(2)3)21-16(13)10-17(12)22-18(14)20/h6-8,10,15H,1-2,9H2,3-5H3
InChIKey
VSCRFQYWCSFUIR-UHFFFAOYSA-N
Compound name
6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 167.6
[M+Na]+ 319.13046 180.8
[M+NH4]+ 314.17506 175.4
[M+K]+ 335.10440 176.7
[M-H]- 295.13396 171.8
[M+Na-2H]- 317.11591 170.1
[M]+ 296.14069 170.8
[M]- 296.14179 170.8
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.