CID 707810

7-methyl-10-phenyl-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C22H14O3
SMILES
CC1=C2C(=CC3=C1OC=C3C4=CC=CC=C4)C5=CC=CC=C5C(=O)O2
InChI
InChI=1S/C22H14O3/c1-13-20-18(19(12-24-20)14-7-3-2-4-8-14)11-17-15-9-5-6-10-16(15)22(23)25-21(13)17/h2-12H,1H3
InChIKey
LJNODJLDIGQHMR-UHFFFAOYSA-N
Compound name
7-methyl-10-phenyl-[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 174.4
[M+Na]+ 349.08352 188.4
[M-H]- 325.08702 187.2
[M+NH4]+ 344.12812 191.1
[M+K]+ 365.05746 184.2
[M+H-H2O]+ 309.09156 166.5
[M+HCOO]- 371.09250 197.3
[M+CH3COO]- 385.10815 188.5
[M+Na-2H]- 347.06897 182.8
[M]+ 326.09375 182.4
[M]- 326.09485 182.4
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.