CID 5271553

Chembl3585672

Structural Information

Molecular Formula
C32H22O6
SMILES
COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=CC=C3)C4=C(OC5=C(C4=O)C=CC(=C5)OC)C6=CC=CC=C6
InChI
InChI=1S/C32H22O6/c1-35-21-13-15-23-25(17-21)37-31(19-9-5-3-6-10-19)27(29(23)33)28-30(34)24-16-14-22(36-2)18-26(24)38-32(28)20-11-7-4-8-12-20/h3-18H,1-2H3
InChIKey
IULHPNNAVFLEJM-UHFFFAOYSA-N
Compound name
7-methoxy-3-(7-methoxy-4-oxo-2-phenylchromen-3-yl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

502.14163 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.14891 227.9
[M+Na]+ 525.13085 238.8
[M-H]- 501.13435 244.4
[M+NH4]+ 520.17545 232.8
[M+K]+ 541.10479 235.9
[M+H-H2O]+ 485.13889 213.4
[M+HCOO]- 547.13983 246.9
[M+CH3COO]- 561.15548 237.2
[M+Na-2H]- 523.11630 231.6
[M]+ 502.14108 236.0
[M]- 502.14218 236.0
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.