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 170.4
[M+Na]+ 337.10464 182.8
[M-H]- 313.10814 178.8
[M+NH4]+ 332.14924 187.3
[M+K]+ 353.07858 181.7
[M+H-H2O]+ 297.11268 165.1
[M+HCOO]- 359.11362 191.5
[M+CH3COO]- 373.12927 208.8
[M+Na-2H]- 335.09009 177.6
[M]+ 314.11487 181.7
[M]- 314.11597 181.7
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.