CID 373061

Nsc648893

Structural Information

Molecular Formula
C33H24O6
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6
InChI
InChI=1S/C33H24O6/c34-28-20-30(22-8-3-1-4-9-22)38-32-18-24(12-14-26(28)32)36-16-7-17-37-25-13-15-27-29(35)21-31(39-33(27)19-25)23-10-5-2-6-11-23/h1-6,8-15,18-21H,7,16-17H2
InChIKey
MJSPPUXGPXYMDO-UHFFFAOYSA-N
Compound name
7-[3-(4-oxo-2-phenylchromen-7-yl)oxypropoxy]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.1573 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.16458 230.0
[M+Na]+ 539.14652 238.7
[M-H]- 515.15002 245.4
[M+NH4]+ 534.19112 233.7
[M+K]+ 555.12046 235.3
[M+H-H2O]+ 499.15456 215.2
[M+HCOO]- 561.15550 248.7
[M+CH3COO]- 575.17115 238.3
[M+Na-2H]- 537.13197 234.7
[M]+ 516.15675 237.4
[M]- 516.15785 237.4
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.