CID 42607732

Grenoblone

Structural Information

Molecular Formula
C26H30O4
SMILES
CC(=CCC1(C2=C(C=CC(O2)(C)C)C(=C(C1=O)C(=O)CCC3=CC=CC=C3)O)C)C
InChI
InChI=1S/C26H30O4/c1-17(2)13-16-26(5)23(29)21(20(27)12-11-18-9-7-6-8-10-18)22(28)19-14-15-25(3,4)30-24(19)26/h6-10,13-15,28H,11-12,16H2,1-5H3
InChIKey
QXEJNAWVPNHILD-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2,8-trimethyl-8-(3-methylbut-2-enyl)-6-(3-phenylpropanoyl)chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.21442 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 198.6
[M+Na]+ 429.20364 205.6
[M-H]- 405.20714 205.2
[M+NH4]+ 424.24824 212.6
[M+K]+ 445.17758 201.9
[M+H-H2O]+ 389.21168 191.0
[M+HCOO]- 451.21262 212.5
[M+CH3COO]- 465.22827 226.2
[M+Na-2H]- 427.18909 198.7
[M]+ 406.21387 201.6
[M]- 406.21497 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.