CID 1780269

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

Structural Information

Molecular Formula
C28H22O3
SMILES
CC1=C2C(=CC3=C1OC(=O)C4=C3CCCC4)C(=CO2)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C28H22O3/c1-17-26-24(15-23-21-9-5-6-10-22(21)28(29)31-27(17)23)25(16-30-26)20-13-11-19(12-14-20)18-7-3-2-4-8-18/h2-4,7-8,11-16H,5-6,9-10H2,1H3
InChIKey
CYJBRSQJRYALHS-UHFFFAOYSA-N
Compound name
7-methyl-10-(4-phenylphenyl)-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

406.1569 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16418 198.7
[M+Na]+ 429.14612 208.8
[M-H]- 405.14962 212.8
[M+NH4]+ 424.19072 211.1
[M+K]+ 445.12006 203.7
[M+H-H2O]+ 389.15416 188.6
[M+HCOO]- 451.15510 216.1
[M+CH3COO]- 465.17075 209.5
[M+Na-2H]- 427.13157 201.8
[M]+ 406.15635 201.7
[M]- 406.15745 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.