CID 338491

Nepseudin

Structural Information

Molecular Formula
C20H18O6
SMILES
COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=C4C=COC4=C3)OC)OC
InChI
InChI=1S/C20H18O6/c1-22-15-5-4-12(19(23-2)20(15)24-3)14-10-26-17-9-16-11(6-7-25-16)8-13(17)18(14)21/h4-9,14H,10H2,1-3H3
InChIKey
PWEWBHDLPRFGPA-UHFFFAOYSA-N
Compound name
6-(2,3,4-trimethoxyphenyl)-6,7-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 179.3
[M+Na]+ 377.09957 190.1
[M-H]- 353.10307 190.4
[M+NH4]+ 372.14417 193.9
[M+K]+ 393.07351 189.4
[M+H-H2O]+ 337.10761 172.0
[M+HCOO]- 399.10855 199.7
[M+CH3COO]- 413.12420 192.3
[M+Na-2H]- 375.08502 183.8
[M]+ 354.10980 188.7
[M]- 354.11090 188.7
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.