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]+ 385.143446 192.6
[M+Na]+ 407.125388 199.6
[M-H]- 383.128894 202.6
[M+NH4]+ 402.169993 202.3
[M+K]+ 423.099328 195.2
[M+H-H2O]+ 367.133430 182.4
[M+HCOO]- 429.134371 210.5
[M+CH3COO]- 443.150021 202.3
[M+Na-2H]- 405.110836 195.0
[M]+ 384.13562142 194.5
[M]- 384.13671858 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.