CID 42607733

4-hydroxyglenoblone

Structural Information

Molecular Formula
C26H30O5
SMILES
CC(=CCC1(C2=C(C=CC(O2)(C)C)C(=C(C1=O)C(=O)CCC3=CC=C(C=C3)O)O)C)C
InChI
InChI=1S/C26H30O5/c1-16(2)12-15-26(5)23(30)21(20(28)11-8-17-6-9-18(27)10-7-17)22(29)19-13-14-25(3,4)31-24(19)26/h6-7,9-10,12-14,27,29H,8,11,15H2,1-5H3
InChIKey
AZRJPDMBCLMTSG-UHFFFAOYSA-N
Compound name
5-hydroxy-6-[3-(4-hydroxyphenyl)propanoyl]-2,2,8-trimethyl-8-(3-methylbut-2-enyl)chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.20932 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21660 201.3
[M+Na]+ 445.19854 208.6
[M-H]- 421.20204 206.9
[M+NH4]+ 440.24314 214.2
[M+K]+ 461.17248 205.0
[M+H-H2O]+ 405.20658 194.3
[M+HCOO]- 467.20752 213.8
[M+CH3COO]- 481.22317 227.6
[M+Na-2H]- 443.18399 200.8
[M]+ 422.20877 204.5
[M]- 422.20987 204.5
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.