CID 54677765

Nsc251154

Structural Information

Molecular Formula
C22H16O4
SMILES
COC1=CC=C(C=C1)C2=C(C3=C(C(=CC=C3)C4=CC=CC=C4)OC2=O)O
InChI
InChI=1S/C22H16O4/c1-25-16-12-10-15(11-13-16)19-20(23)18-9-5-8-17(21(18)26-22(19)24)14-6-3-2-4-7-14/h2-13,23H,1H3
InChIKey
UMNCFXLCHWCZPI-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(4-methoxyphenyl)-8-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10486 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11214 180.5
[M+Na]+ 367.09408 190.4
[M-H]- 343.09758 191.5
[M+NH4]+ 362.13868 192.6
[M+K]+ 383.06802 186.1
[M+H-H2O]+ 327.10212 170.7
[M+HCOO]- 389.10306 201.4
[M+CH3COO]- 403.11871 192.2
[M+Na-2H]- 365.07953 186.2
[M]+ 344.10431 183.9
[M]- 344.10541 183.9
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.