CID 2027373

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

Structural Information

Molecular Formula
C27H20O3
SMILES
C1CCC2=C(C1)C3=C(C=C4C(=C3)C(=CO4)C5=CC=C(C=C5)C6=CC=CC=C6)OC2=O
InChI
InChI=1S/C27H20O3/c28-27-21-9-5-4-8-20(21)22-14-23-24(16-29-25(23)15-26(22)30-27)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-3,6-7,10-16H,4-5,8-9H2
InChIKey
OEHYZVWYQSGXRN-UHFFFAOYSA-N
Compound name
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

392.14124 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14852 192.9
[M+Na]+ 415.13046 202.6
[M-H]- 391.13396 206.8
[M+NH4]+ 410.17506 205.6
[M+K]+ 431.10440 197.6
[M+H-H2O]+ 375.13850 182.9
[M+HCOO]- 437.13944 210.7
[M+CH3COO]- 451.15509 203.8
[M+Na-2H]- 413.11591 197.3
[M]+ 392.14069 195.2
[M]- 392.14179 195.2
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.