CID 1745452

6-benzyl-5-methyl-3-(4-methylphenyl)-7h-furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C26H20O3
SMILES
CC1=CC=C(C=C1)C2=COC3=C2C=C4C(=C(C(=O)OC4=C3)CC5=CC=CC=C5)C
InChI
InChI=1S/C26H20O3/c1-16-8-10-19(11-9-16)23-15-28-24-14-25-20(13-22(23)24)17(2)21(26(27)29-25)12-18-6-4-3-5-7-18/h3-11,13-15H,12H2,1-2H3
InChIKey
AWLFMYMGOUBSPG-UHFFFAOYSA-N
Compound name
6-benzyl-5-methyl-3-(4-methylphenyl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14124 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14852 193.7
[M+Na]+ 403.13046 205.7
[M-H]- 379.13396 208.0
[M+NH4]+ 398.17506 206.9
[M+K]+ 419.10440 201.1
[M+H-H2O]+ 363.13850 184.6
[M+HCOO]- 425.13944 215.3
[M+CH3COO]- 439.15509 206.1
[M+Na-2H]- 401.11591 197.6
[M]+ 380.14069 200.6
[M]- 380.14179 200.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.