CID 12109666

Dorspoinsettifolin

Structural Information

Molecular Formula
C21H20O4
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(CC3=O)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C21H20O4/c1-21(2)11-10-16-18(25-21)9-8-15-17(22)12-19(24-20(15)16)13-4-6-14(23-3)7-5-13/h4-11,19H,12H2,1-3H3
InChIKey
WCVZOMYIGNKERA-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13617 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 178.9
[M+Na]+ 359.12539 188.0
[M-H]- 335.12889 188.8
[M+NH4]+ 354.16999 194.0
[M+K]+ 375.09933 186.2
[M+H-H2O]+ 319.13343 169.7
[M+HCOO]- 381.13437 194.8
[M+CH3COO]- 395.15002 190.4
[M+Na-2H]- 357.11084 185.0
[M]+ 336.13562 181.8
[M]- 336.13672 181.8
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.