CID 4692111

5,7,3',4',5'-pentamethoxyflavanone

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=CC2=C(C(=O)CC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=C1)OC
InChI
InChI=1S/C20H22O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-9,14H,10H2,1-5H3
InChIKey
VJQOZRFYJNWSFO-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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

patents stripe