CID 44257236

Maximaisoflavone b

Structural Information

Molecular Formula
C21H18O5
SMILES
CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4)C
InChI
InChI=1S/C21H18O5/c1-13(2)7-8-23-15-4-5-16-19(10-15)24-11-17(21(16)22)14-3-6-18-20(9-14)26-12-25-18/h3-7,9-11H,8,12H2,1-2H3
InChIKey
FNMKZDDKPDBYJM-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-7-(3-methylbut-2-enoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1534
Patents

350.11542 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12270 181.7
[M+Na]+ 373.10464 190.9
[M-H]- 349.10814 192.6
[M+NH4]+ 368.14924 194.6
[M+K]+ 389.07858 189.9
[M+H-H2O]+ 333.11268 174.6
[M+HCOO]- 395.11362 199.9
[M+CH3COO]- 409.12927 193.7
[M+Na-2H]- 371.09009 186.0
[M]+ 350.11487 188.4
[M]- 350.11597 188.4
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