CID 101718033

5,8-dimethoxychalepensin

Structural Information

Molecular Formula
C18H18O5
SMILES
CC(C)(C=C)C1=CC2=C(C3=C(C(=C2OC1=O)OC)OC=C3)OC
InChI
InChI=1S/C18H18O5/c1-6-18(2,3)12-9-11-13(20-4)10-7-8-22-14(10)16(21-5)15(11)23-17(12)19/h6-9H,1H2,2-5H3
InChIKey
KHRPPPVMZUBIOV-UHFFFAOYSA-N
Compound name
4,9-dimethoxy-6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.11542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 168.6
[M+Na]+ 337.10464 183.6
[M+NH4]+ 332.14924 175.9
[M+K]+ 353.07858 179.8
[M-H]- 313.10814 172.8
[M+Na-2H]- 335.09009 172.4
[M]+ 314.11487 172.2
[M]- 314.11597 172.2
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

No patent data available for this compound.