CID 707766

7-methyl-10-(4-methylphenyl)-1,2,3,4-tetrahydro-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C23H20O3
SMILES
CC1=CC=C(C=C1)C2=COC3=C(C4=C(C=C23)C5=C(CCCC5)C(=O)O4)C
InChI
InChI=1S/C23H20O3/c1-13-7-9-15(10-8-13)20-12-25-21-14(2)22-18(11-19(20)21)16-5-3-4-6-17(16)23(24)26-22/h7-12H,3-6H2,1-2H3
InChIKey
OPQRHKHFEPXXNO-UHFFFAOYSA-N
Compound name
7-methyl-10-(4-methylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14124 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14852 179.3
[M+Na]+ 367.13046 198.0
[M+NH4]+ 362.17506 189.8
[M+K]+ 383.10440 190.3
[M-H]- 343.13396 188.9
[M+Na-2H]- 365.11591 186.0
[M]+ 344.14069 185.2
[M]- 344.14179 185.2
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.