CID 54688531

7-benzyloxy-4-hydroxy-3-phenyl-chromen-2-one

Structural Information

Molecular Formula
C22H16O4
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C(C(=O)O3)C4=CC=CC=C4)O
InChI
InChI=1S/C22H16O4/c23-21-18-12-11-17(25-14-15-7-3-1-4-8-15)13-19(18)26-22(24)20(21)16-9-5-2-6-10-16/h1-13,23H,14H2
InChIKey
DXYBRVWWFQQQPW-UHFFFAOYSA-N
Compound name
4-hydroxy-3-phenyl-7-phenylmethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.10486 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11214 180.1
[M+Na]+ 367.09408 189.1
[M-H]- 343.09758 190.6
[M+NH4]+ 362.13868 191.9
[M+K]+ 383.06802 184.6
[M+H-H2O]+ 327.10212 170.2
[M+HCOO]- 389.10306 201.0
[M+CH3COO]- 403.11871 191.5
[M+Na-2H]- 365.07953 186.5
[M]+ 344.10431 183.0
[M]- 344.10541 183.0
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.