CID 707746

3-(4-methoxyphenyl)-5,6-dimethyl-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C20H16O4
SMILES
CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C20H16O4/c1-11-12(2)20(21)24-19-9-18-16(8-15(11)19)17(10-23-18)13-4-6-14(22-3)7-5-13/h4-10H,1-3H3
InChIKey
ZWHYOLFLPIJLSD-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-5,6-dimethylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

320.10486 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 172.9
[M+Na]+ 343.09408 186.3
[M-H]- 319.09758 184.9
[M+NH4]+ 338.13868 189.4
[M+K]+ 359.06802 183.8
[M+H-H2O]+ 303.10212 165.9
[M+HCOO]- 365.10306 195.8
[M+CH3COO]- 379.11871 187.2
[M+Na-2H]- 341.07953 178.7
[M]+ 320.10431 182.3
[M]- 320.10541 182.3
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

patents stripe