CID 44584772

5-demethoxynobiletin

Structural Information

Molecular Formula
C20H20O7
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-22-14-7-6-11(8-16(14)23-2)15-10-13(21)12-9-17(24-3)19(25-4)20(26-5)18(12)27-15/h6-10H,1-5H3
InChIKey
MNQMRHVEXBTNRO-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

372.1209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 183.8
[M+Na]+ 395.11012 194.7
[M-H]- 371.11362 193.5
[M+NH4]+ 390.15472 196.3
[M+K]+ 411.08406 194.5
[M+H-H2O]+ 355.11816 174.6
[M+HCOO]- 417.11910 206.1
[M+CH3COO]- 431.13475 220.5
[M+Na-2H]- 393.09557 187.9
[M]+ 372.12035 196.3
[M]- 372.12145 196.3
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