CID 10992375

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

Structural Information

Molecular Formula
C20H22O7
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2OC)OC)OC)O)OC
InChI
InChI=1S/C20H22O7/c1-23-14-9-7-12(10-15(14)24-2)6-8-13(21)18-16(25-3)11-17(26-4)20(27-5)19(18)22/h6-11,22H,1-5H3/b8-6+
InChIKey
HJEVKPPOPFNTMA-SOFGYWHQSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.13657 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14385 184.2
[M+Na]+ 397.12579 192.5
[M-H]- 373.12929 190.3
[M+NH4]+ 392.17039 196.1
[M+K]+ 413.09973 190.8
[M+H-H2O]+ 357.13383 175.7
[M+HCOO]- 419.13477 205.6
[M+CH3COO]- 433.15042 218.2
[M+Na-2H]- 395.11124 183.7
[M]+ 374.13602 193.8
[M]- 374.13712 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

No patent data available for this compound.