CID 72703226

3',4',5,7,8-pentamethoxyflavanone

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C20H22O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-8,10,14H,9H2,1-5H3
InChIKey
KDAYBJYBUBBFCG-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

374.13657 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.143846 184.8
[M+Na]+ 397.125788 193.7
[M-H]- 373.129294 193.7
[M+NH4]+ 392.170393 197.1
[M+K]+ 413.099728 193.8
[M+H-H2O]+ 357.133830 175.8
[M+HCOO]- 419.134771 204.3
[M+CH3COO]- 433.150421 221.2
[M+Na-2H]- 395.111236 187.2
[M]+ 374.13602142 194.5
[M]- 374.13711858 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