CID 21591197

Albanin e

Structural Information

Molecular Formula
C25H26O6
SMILES
CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)/C)C
InChI
InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-18-20(28)12-23-24(25(18)30)21(29)13-22(31-23)17-10-8-16(26)11-19(17)27/h5,7-8,10-13,26-28,30H,4,6,9H2,1-3H3/b15-7+
InChIKey
CNACUOPDTBOMCZ-VIZOYTHASA-N
Compound name
2-(2,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

422.17294 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.180216 203.1
[M+Na]+ 445.162158 210.3
[M-H]- 421.165664 206.6
[M+NH4]+ 440.206763 210.7
[M+K]+ 461.136098 205.3
[M+H-H2O]+ 405.170200 195.0
[M+HCOO]- 467.171141 215.8
[M+CH3COO]- 481.186791 224.0
[M+Na-2H]- 443.147606 200.4
[M]+ 422.17239142 206.0
[M]- 422.17348858 206.0
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