CID 707855

4-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro-7h-benzo[c]furo[2,3-f]chromen-7-one

Structural Information

Molecular Formula
C23H20O3
SMILES
CC1=CC=C(C=C1)C2=COC3=C2C(=CC4=C3C5=C(CCCC5)C(=O)O4)C
InChI
InChI=1S/C23H20O3/c1-13-7-9-15(10-8-13)18-12-25-22-20(18)14(2)11-19-21(22)16-5-3-4-6-17(16)23(24)26-19/h7-12H,3-6H2,1-2H3
InChIKey
MFVZAJXONBSHCK-UHFFFAOYSA-N
Compound name
4-methyl-3-(4-methylphenyl)-8,9,10,11-tetrahydro-[1]benzofuro[6,7-c]isochromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14124 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14852 180.8
[M+Na]+ 367.13046 192.2
[M-H]- 343.13396 192.5
[M+NH4]+ 362.17506 196.8
[M+K]+ 383.10440 188.1
[M+H-H2O]+ 327.13850 172.9
[M+HCOO]- 389.13944 199.1
[M+CH3COO]- 403.15509 193.3
[M+Na-2H]- 365.11591 185.3
[M]+ 344.14069 185.3
[M]- 344.14179 185.3
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.