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 176.2
[M+Na]+ 353.11480 188.9
[M-H]- 329.11830 188.8
[M+NH4]+ 348.15940 194.9
[M+K]+ 369.08874 185.0
[M+H-H2O]+ 313.12284 170.6
[M+HCOO]- 375.12378 197.3
[M+CH3COO]- 389.13943 190.1
[M+Na-2H]- 351.10025 179.3
[M]+ 330.12503 183.0
[M]- 330.12613 183.0
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.