CID 183466

3'-demethylnobiletin

Structural Information

Molecular Formula
C20H20O8
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O
InChI
InChI=1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3
InChIKey
XFYYZBJXMSDKCV-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

58
Patents

388.1158 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12308 187.8
[M+Na]+ 411.10502 203.3
[M+NH4]+ 406.14962 193.3
[M+K]+ 427.07896 198.0
[M-H]- 387.10852 192.1
[M+Na-2H]- 409.09047 192.7
[M]+ 388.11525 191.3
[M]- 388.11635 191.3
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