CID 707768

6-methyl-9-(4-methylphenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1h)-one

Structural Information

Molecular Formula
C22H18O3
SMILES
CC1=CC=C(C=C1)C2=COC3=C(C4=C(C=C23)C5=C(CCC5)C(=O)O4)C
InChI
InChI=1S/C22H18O3/c1-12-6-8-14(9-7-12)19-11-24-20-13(2)21-17(10-18(19)20)15-4-3-5-16(15)22(23)25-21/h6-11H,3-5H2,1-2H3
InChIKey
RDXWRPDDILKISV-UHFFFAOYSA-N
Compound name
10-methyl-14-(4-methylphenyl)-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12558 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13286 173.9
[M+Na]+ 353.11480 191.7
[M+NH4]+ 348.15940 184.3
[M+K]+ 369.08874 186.6
[M-H]- 329.11830 182.8
[M+Na-2H]- 351.10025 179.9
[M]+ 330.12503 179.4
[M]- 330.12613 179.4
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.