CID 242588

5,7-dimethoxy-2-pyridin-4-yl-4h-chromen-4-one

Structural Information

Molecular Formula
C16H13NO4
SMILES
COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=NC=C3
InChI
InChI=1S/C16H13NO4/c1-19-11-7-14(20-2)16-12(18)9-13(21-15(16)8-11)10-3-5-17-6-4-10/h3-9H,1-2H3
InChIKey
FJOGVHKRNRHTLM-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-2-pyridin-4-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

283.08447 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 161.7
[M+Na]+ 306.07369 172.6
[M-H]- 282.07719 169.7
[M+NH4]+ 301.11829 176.1
[M+K]+ 322.04763 170.3
[M+H-H2O]+ 266.08173 152.7
[M+HCOO]- 328.08267 183.8
[M+CH3COO]- 342.09832 200.8
[M+Na-2H]- 304.05914 169.6
[M]+ 283.08392 167.8
[M]- 283.08502 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.