CID 11502310

Laxichalcone

Structural Information

Molecular Formula
C25H24O5
SMILES
CC1(C=CC2=C(C(=C3C(=C2O1)C=CC(O3)(C)C)C(=O)/C=C/C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C25H24O5/c1-24(2)13-11-17-21(28)20(19(27)10-7-15-5-8-16(26)9-6-15)23-18(22(17)29-24)12-14-25(3,4)30-23/h5-14,26,28H,1-4H3/b10-7+
InChIKey
OYKNIXGSTSXINU-JXMROGBWSA-N
Compound name
(E)-3-(4-hydroxyphenyl)-1-(5-hydroxy-2,2,8,8-tetramethylpyrano[2,3-f]chromen-6-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.16238 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 198.2
[M+Na]+ 427.15160 207.5
[M-H]- 403.15510 205.9
[M+NH4]+ 422.19620 211.3
[M+K]+ 443.12554 204.6
[M+H-H2O]+ 387.15964 189.6
[M+HCOO]- 449.16058 210.4
[M+CH3COO]- 463.17623 207.8
[M+Na-2H]- 425.13705 202.1
[M]+ 404.16183 201.6
[M]- 404.16293 201.6
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.