CID 5666273

7-[(4-tert-butylphenyl)methoxy]-5-hydroxy-2-phenyl-4h-chromen-4-one

Structural Information

Molecular Formula
C26H24O4
SMILES
CC(C)(C)C1=CC=C(C=C1)COC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O
InChI
InChI=1S/C26H24O4/c1-26(2,3)19-11-9-17(10-12-19)16-29-20-13-21(27)25-22(28)15-23(30-24(25)14-20)18-7-5-4-6-8-18/h4-15,27H,16H2,1-3H3
InChIKey
LPOLQXXVOAVOEO-UHFFFAOYSA-N
Compound name
7-[(4-tert-butylphenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.16745 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17473 199.3
[M+Na]+ 423.15667 207.7
[M-H]- 399.16017 209.7
[M+NH4]+ 418.20127 209.2
[M+K]+ 439.13061 203.3
[M+H-H2O]+ 383.16471 189.2
[M+HCOO]- 445.16565 217.1
[M+CH3COO]- 459.18130 222.8
[M+Na-2H]- 421.14212 203.7
[M]+ 400.16690 203.3
[M]- 400.16800 203.3
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.