CID 707703

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

Structural Information

Molecular Formula
C20H16O3
SMILES
CCCC1=CC(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=CC=C4
InChI
InChI=1S/C20H16O3/c1-2-6-14-9-20(21)23-19-11-18-16(10-15(14)19)17(12-22-18)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3
InChIKey
JADUSYKIMZLKJN-UHFFFAOYSA-N
Compound name
3-phenyl-5-propylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.10995 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11723 169.2
[M+Na]+ 327.09917 181.1
[M-H]- 303.10267 180.4
[M+NH4]+ 322.14377 185.9
[M+K]+ 343.07311 177.8
[M+H-H2O]+ 287.10721 162.1
[M+HCOO]- 349.10815 192.1
[M+CH3COO]- 363.12380 183.1
[M+Na-2H]- 325.08462 176.3
[M]+ 304.10940 176.3
[M]- 304.11050 176.3
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.