CID 707822

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

Structural Information

Molecular Formula
C23H16O3
SMILES
CC1=CC=C(C=C1)C2=COC3=C2C=C4C5=CC=CC=C5C(=O)OC4=C3C
InChI
InChI=1S/C23H16O3/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/h3-12H,1-2H3
InChIKey
OPPPBVAOQGAARB-UHFFFAOYSA-N
Compound name
7-methyl-10-(4-methylphenyl)-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10995 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.117226 180.0
[M+Na]+ 363.099168 194.3
[M-H]- 339.102674 192.9
[M+NH4]+ 358.143773 196.3
[M+K]+ 379.073108 190.1
[M+H-H2O]+ 323.107210 172.0
[M+HCOO]- 385.108151 202.4
[M+CH3COO]- 399.123801 193.9
[M+Na-2H]- 361.084616 187.1
[M]+ 340.10940142 188.7
[M]- 340.11049858 188.7
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.