CID 10364102

Cedrediprenone

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC1=C(C(=C2C(=C1O)CC(O2)C(C)(C)O)C(=O)/C=C/C3=CC=CC=C3)O)C
InChI
InChI=1S/C25H28O5/c1-15(2)10-12-17-22(27)18-14-20(25(3,4)29)30-24(18)21(23(17)28)19(26)13-11-16-8-6-5-7-9-16/h5-11,13,20,27-29H,12,14H2,1-4H3/b13-11+
InChIKey
XYUZWYRTIRDZMQ-ACCUITESSA-N
Compound name
(E)-1-[4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-7-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.19366 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20094 201.0
[M+Na]+ 431.18288 206.4
[M-H]- 407.18638 205.2
[M+NH4]+ 426.22748 211.4
[M+K]+ 447.15682 201.7
[M+H-H2O]+ 391.19092 195.0
[M+HCOO]- 453.19186 213.1
[M+CH3COO]- 467.20751 221.1
[M+Na-2H]- 429.16833 198.1
[M]+ 408.19311 202.4
[M]- 408.19421 202.4
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.