CID 6450924

Kuwanon s

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)/C)C
InChI
InChI=1S/C25H26O5/c1-15(2)5-4-6-16(3)7-8-17-11-18(9-10-20(17)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h5,7,9-14,26-28H,4,6,8H2,1-3H3/b16-7+
InChIKey
UXXAQCSTQAIKEM-FRKPEAEDSA-N
Compound name
2-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

406.178 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 200.1
[M+Na]+ 429.16722 207.1
[M-H]- 405.17072 204.6
[M+NH4]+ 424.21182 208.8
[M+K]+ 445.14116 201.8
[M+H-H2O]+ 389.17526 191.8
[M+HCOO]- 451.17620 214.2
[M+CH3COO]- 465.19185 222.2
[M+Na-2H]- 427.15267 198.2
[M]+ 406.17745 202.8
[M]- 406.17855 202.8
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