CID 466330

3-bromo-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

Structural Information

Molecular Formula
C18H15BrO5
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)Br
InChI
InChI=1S/C18H15BrO5/c1-21-11-6-4-10(5-7-11)18-16(19)17(20)15-13(23-3)8-12(22-2)9-14(15)24-18/h4-9H,1-3H3
InChIKey
UOLGDRAMSPDAHQ-UHFFFAOYSA-N
Compound name
3-bromo-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.01028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.01756 179.9
[M+Na]+ 412.99950 193.1
[M-H]- 389.00300 191.4
[M+NH4]+ 408.04410 195.4
[M+K]+ 428.97344 184.1
[M+H-H2O]+ 373.00754 177.7
[M+HCOO]- 435.00848 199.9
[M+CH3COO]- 449.02413 216.8
[M+Na-2H]- 410.98495 185.9
[M]+ 390.00973 206.2
[M]- 390.01083 206.2
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.