CID 480802

Gancaonin q

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)C
InChI
InChI=1S/C25H26O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-13,26-27,29H,7,9H2,1-4H3
InChIKey
WGNIVAMNAWBYRO-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

406.178 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 200.0
[M+Na]+ 429.16722 213.9
[M+NH4]+ 424.21182 204.9
[M+K]+ 445.14116 207.6
[M-H]- 405.17072 203.5
[M+Na-2H]- 427.15267 203.0
[M]+ 406.17745 202.9
[M]- 406.17855 202.9
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