CID 5481961

Albanin a

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O)C
InChI
InChI=1S/C20H18O6/c1-10(2)3-5-14-19(25)18-16(24)8-12(22)9-17(18)26-20(14)13-6-4-11(21)7-15(13)23/h3-4,6-9,21-24H,5H2,1-2H3
InChIKey
KEIIIPKLVSSAEI-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

18
Patents

354.11035 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 182.4
[M+Na]+ 377.09957 196.7
[M+NH4]+ 372.14417 187.6
[M+K]+ 393.07351 191.6
[M-H]- 353.10307 185.6
[M+Na-2H]- 375.08502 186.1
[M]+ 354.10980 185.3
[M]- 354.11090 185.3
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