CID 707734

5-methyl-3-phenyl-6-propyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C21H18O3
SMILES
CCCC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C4=CC=CC=C4)C
InChI
InChI=1S/C21H18O3/c1-3-7-15-13(2)16-10-17-18(14-8-5-4-6-9-14)12-23-19(17)11-20(16)24-21(15)22/h4-6,8-12H,3,7H2,1-2H3
InChIKey
MPWUURJWEYUZQS-UHFFFAOYSA-N
Compound name
5-methyl-3-phenyl-6-propylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.12558 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13286 172.1
[M+Na]+ 341.11480 190.8
[M+NH4]+ 336.15940 181.8
[M+K]+ 357.08874 183.4
[M-H]- 317.11830 180.9
[M+Na-2H]- 339.10025 180.1
[M]+ 318.12503 177.8
[M]- 318.12613 177.8
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.