CID 1836013

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

Structural Information

Molecular Formula
C25H17ClO3
SMILES
CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5
InChI
InChI=1S/C25H17ClO3/c1-15-19-12-21-22(17-7-9-18(26)10-8-17)14-28-23(21)13-24(19)29-25(27)20(15)11-16-5-3-2-4-6-16/h2-10,12-14H,11H2,1H3
InChIKey
USFIKZYDLXQZOK-UHFFFAOYSA-N
Compound name
6-benzyl-3-(4-chlorophenyl)-5-methylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.0866 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09388 193.8
[M+Na]+ 423.07582 215.7
[M+NH4]+ 418.12042 204.2
[M+K]+ 439.04976 206.0
[M-H]- 399.07932 205.4
[M+Na-2H]- 421.06127 204.2
[M]+ 400.08605 201.3
[M]- 400.08715 201.3
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.