CID 707820

10-(4-methylphenyl)-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C22H14O3
SMILES
CC1=CC=C(C=C1)C2=COC3=C2C=C4C5=CC=CC=C5C(=O)OC4=C3
InChI
InChI=1S/C22H14O3/c1-13-6-8-14(9-7-13)19-12-24-20-11-21-17(10-18(19)20)15-4-2-3-5-16(15)22(23)25-21/h2-12H,1H3
InChIKey
IAGKEBKLMSERDB-UHFFFAOYSA-N
Compound name
10-(4-methylphenyl)-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.0943 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10158 172.3
[M+Na]+ 349.08352 193.6
[M+NH4]+ 344.12812 183.1
[M+K]+ 365.05746 185.1
[M-H]- 325.08702 182.5
[M+Na-2H]- 347.06897 182.0
[M]+ 326.09375 178.9
[M]- 326.09485 178.9
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.