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]+ 401.174726 199.3
[M+Na]+ 423.156668 207.7
[M-H]- 399.160174 209.7
[M+NH4]+ 418.201273 209.2
[M+K]+ 439.130608 203.3
[M+H-H2O]+ 383.164710 189.2
[M+HCOO]- 445.165651 217.1
[M+CH3COO]- 459.181301 222.8
[M+Na-2H]- 421.142116 203.7
[M]+ 400.16690142 203.3
[M]- 400.16799858 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.