CID 1696267

2-((2-(5-bromofuran-2-yl)-4-oxo-4h-chromen-3-yl)oxy)acetamide

Structural Information

Molecular Formula
C15H10BrNO5
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(O3)Br)OCC(=O)N
InChI
InChI=1S/C15H10BrNO5/c16-11-6-5-10(21-11)14-15(20-7-12(17)18)13(19)8-3-1-2-4-9(8)22-14/h1-6H,7H2,(H2,17,18)
InChIKey
KGIGMCONNWRUGX-UHFFFAOYSA-N
Compound name
2-[2-(5-bromofuran-2-yl)-4-oxochromen-3-yl]oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

26
Patents

362.97424 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.981516 174.2
[M+Na]+ 385.963458 187.2
[M-H]- 361.966964 186.1
[M+NH4]+ 381.008063 190.1
[M+K]+ 401.937398 178.5
[M+H-H2O]+ 345.971500 172.9
[M+HCOO]- 407.972441 196.0
[M+CH3COO]- 421.988091 210.4
[M+Na-2H]- 383.948906 180.2
[M]+ 362.97369142 198.7
[M]- 362.97478858 198.7
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.