CID 375237

Nsc654626

Structural Information

Molecular Formula
C33H24O7
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(COC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6)O
InChI
InChI=1S/C33H24O7/c34-23(19-37-24-11-13-26-28(35)17-30(39-32(26)15-24)21-7-3-1-4-8-21)20-38-25-12-14-27-29(36)18-31(40-33(27)16-25)22-9-5-2-6-10-22/h1-18,23,34H,19-20H2
InChIKey
DSWRBCMJHPYKPK-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-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

532.1522 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.15948 230.9
[M+Na]+ 555.14142 238.3
[M-H]- 531.14492 245.0
[M+NH4]+ 550.18602 233.0
[M+K]+ 571.11536 235.9
[M+H-H2O]+ 515.14946 216.4
[M+HCOO]- 577.15040 247.3
[M+CH3COO]- 591.16605 238.3
[M+Na-2H]- 553.12687 234.6
[M]+ 532.15165 237.5
[M]- 532.15275 237.5
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.