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]+ 405.169656 198.2
[M+Na]+ 427.151598 207.5
[M-H]- 403.155104 205.9
[M+NH4]+ 422.196203 211.3
[M+K]+ 443.125538 204.6
[M+H-H2O]+ 387.159640 189.6
[M+HCOO]- 449.160581 210.4
[M+CH3COO]- 463.176231 207.8
[M+Na-2H]- 425.137046 202.1
[M]+ 404.16183142 201.6
[M]- 404.16292858 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.