CID 13802644

6'-hydroxy-3,4,2',3',4'-pentamethoxychalcone

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2O)OC)OC)OC)OC
InChI
InChI=1S/C20H22O7/c1-23-15-9-7-12(10-16(15)24-2)6-8-13(21)18-14(22)11-17(25-3)19(26-4)20(18)27-5/h6-11,22H,1-5H3/b8-6+
InChIKey
YYGVWBCOVUSNQT-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

374.13657 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.143846 184.2
[M+Na]+ 397.125788 192.5
[M-H]- 373.129294 190.3
[M+NH4]+ 392.170393 196.1
[M+K]+ 413.099728 190.8
[M+H-H2O]+ 357.133830 175.7
[M+HCOO]- 419.134771 205.6
[M+CH3COO]- 433.150421 218.2
[M+Na-2H]- 395.111236 183.7
[M]+ 374.13602142 193.8
[M]- 374.13711858 193.8
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