CID 1965181

374765-62-5

Structural Information

Molecular Formula
C31H22O3
SMILES
CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)C5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C31H22O3/c1-20-25-17-27-28(24-14-12-23(13-15-24)22-10-6-3-7-11-22)19-33-29(27)18-30(25)34-31(32)26(20)16-21-8-4-2-5-9-21/h2-15,17-19H,16H2,1H3
InChIKey
MRTNZSKLISVURQ-UHFFFAOYSA-N
Compound name
6-benzyl-5-methyl-3-(4-phenylphenyl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.1569 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16418 209.1
[M+Na]+ 465.14612 231.4
[M+NH4]+ 460.19072 219.0
[M+K]+ 481.12006 220.9
[M-H]- 441.14962 223.0
[M+Na-2H]- 463.13157 221.3
[M]+ 442.15635 217.0
[M]- 442.15745 217.0
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.