CID 14539881

Kuwanol d

Structural Information

Molecular Formula
C25H28O5
SMILES
CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)/C=C/C(=O)C2=C(C=C(C=C2)O)O)/C)C
InChI
InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-8-18-13-19(24(29)15-23(18)28)9-12-22(27)21-11-10-20(26)14-25(21)30/h5,7,9-15,26,28-30H,4,6,8H2,1-3H3/b12-9+,17-7+
InChIKey
ARIUOJMONLRTJR-NNVJOTTFSA-N
Compound name
(E)-1-(2,4-dihydroxyphenyl)-3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

408.19366 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.200936 200.4
[M+Na]+ 431.182878 204.9
[M-H]- 407.186384 201.4
[M+NH4]+ 426.227483 208.5
[M+K]+ 447.156818 198.2
[M+H-H2O]+ 391.190920 192.9
[M+HCOO]- 453.191861 213.7
[M+CH3COO]- 467.207511 219.9
[M+Na-2H]- 429.168326 193.9
[M]+ 408.19311142 200.2
[M]- 408.19420858 200.2
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

patents stripe