CID 54690933

4-hydroxy-3-(3-oxo-2-phenyl-butyl)-8-phenyl-chromen-2-one

Structural Information

Molecular Formula
C25H20O4
SMILES
CC(=O)C(CC1=C(C2=C(C(=CC=C2)C3=CC=CC=C3)OC1=O)O)C4=CC=CC=C4
InChI
InChI=1S/C25H20O4/c1-16(26)21(18-11-6-3-7-12-18)15-22-23(27)20-14-8-13-19(24(20)29-25(22)28)17-9-4-2-5-10-17/h2-14,21,27H,15H2,1H3
InChIKey
YDGQEDODDUOMIX-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(3-oxo-2-phenylbutyl)-8-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.13617 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14345 192.6
[M+Na]+ 407.12539 199.6
[M-H]- 383.12889 202.6
[M+NH4]+ 402.16999 202.3
[M+K]+ 423.09933 195.2
[M+H-H2O]+ 367.13343 182.4
[M+HCOO]- 429.13437 210.5
[M+CH3COO]- 443.15002 202.3
[M+Na-2H]- 405.11084 195.0
[M]+ 384.13562 194.5
[M]- 384.13672 194.5
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.