CID 10937632

(2s)-5,6,7,3',4'-pentamethoxyflavanone

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC
InChI
InChI=1S/C20H22O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-8,10,14H,9H2,1-5H3/t14-/m0/s1
InChIKey
HFKPIRGXRKMHJS-AWEZNQCLSA-N
Compound name
(2S)-2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

374.13657 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 184.8
[M+Na]+ 397.12579 193.7
[M-H]- 373.12929 193.7
[M+NH4]+ 392.17039 197.1
[M+K]+ 413.09973 193.8
[M+H-H2O]+ 357.13383 175.8
[M+HCOO]- 419.13477 204.3
[M+CH3COO]- 433.15042 221.2
[M+Na-2H]- 395.11124 187.2
[M]+ 374.13602 194.5
[M]- 374.13712 194.5
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

No patent data available for this compound.