CID 373054

Nsc648886

Structural Information

Molecular Formula
C40H38O6
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCCCCCCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6
InChI
InChI=1S/C40H38O6/c41-35-27-37(29-15-9-7-10-16-29)45-39-25-31(19-21-33(35)39)43-23-13-5-3-1-2-4-6-14-24-44-32-20-22-34-36(42)28-38(46-40(34)26-32)30-17-11-8-12-18-30/h7-12,15-22,25-28H,1-6,13-14,23-24H2
InChIKey
NYBFKDXVDBPZKU-UHFFFAOYSA-N
Compound name
7-[10-(4-oxo-2-phenylchromen-7-yl)oxydecoxy]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.26685 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.27413 260.6
[M+Na]+ 637.25607 265.7
[M-H]- 613.25957 274.1
[M+NH4]+ 632.30067 259.9
[M+K]+ 653.23001 261.2
[M+H-H2O]+ 597.26411 243.9
[M+HCOO]- 659.26505 276.5
[M+CH3COO]- 673.28070 265.4
[M+Na-2H]- 635.24152 261.3
[M]+ 614.26630 269.4
[M]- 614.26740 269.4
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.