CID 707763

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

Structural Information

Molecular Formula
C21H16O3
SMILES
CC1=CC=C(C=C1)C2=COC3=CC4=C(C=C32)C5=C(CCC5)C(=O)O4
InChI
InChI=1S/C21H16O3/c1-12-5-7-13(8-6-12)18-11-23-19-10-20-16(9-17(18)19)14-3-2-4-15(14)21(22)24-20/h5-11H,2-4H2,1H3
InChIKey
QFCHMLTUURCHOZ-UHFFFAOYSA-N
Compound name
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

4
References

0
Patents

316.10995 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11723 169.3
[M+Na]+ 339.09917 186.9
[M+NH4]+ 334.14377 179.9
[M+K]+ 355.07311 181.9
[M-H]- 315.10267 178.2
[M+Na-2H]- 337.08462 175.8
[M]+ 316.10940 174.8
[M]- 316.11050 174.8
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.