CID 177731

Maximaisoflavone j

Structural Information

Molecular Formula
C21H20O4
SMILES
CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C21H20O4/c1-14(2)10-11-24-17-8-9-18-20(12-17)25-13-19(21(18)22)15-4-6-16(23-3)7-5-15/h4-10,12-13H,11H2,1-3H3
InChIKey
XZMVXCSKRYOMID-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

336.13617 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 179.2
[M+Na]+ 359.12539 187.9
[M-H]- 335.12889 187.8
[M+NH4]+ 354.16999 192.7
[M+K]+ 375.09933 184.8
[M+H-H2O]+ 319.13343 170.4
[M+HCOO]- 381.13437 200.1
[M+CH3COO]- 395.15002 212.5
[M+Na-2H]- 357.11084 183.2
[M]+ 336.13562 185.1
[M]- 336.13672 185.1
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