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]+ 345.148516 180.8
[M+Na]+ 367.130458 192.2
[M-H]- 343.133964 192.5
[M+NH4]+ 362.175063 196.8
[M+K]+ 383.104398 188.1
[M+H-H2O]+ 327.138500 172.9
[M+HCOO]- 389.139441 199.1
[M+CH3COO]- 403.155091 193.3
[M+Na-2H]- 365.115906 185.3
[M]+ 344.14069142 185.3
[M]- 344.14178858 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.