CID 628883

206658-80-2

Structural Information

Molecular Formula
C13H6BrN3O2
SMILES
C1=CC2=C(C=C1Br)C(=O)C3=C(O2)N=C(C(=C3)C#N)N
InChI
InChI=1S/C13H6BrN3O2/c14-7-1-2-10-8(4-7)11(18)9-3-6(5-15)12(16)17-13(9)19-10/h1-4H,(H2,16,17)
InChIKey
UFLWUJOAQJLVMJ-UHFFFAOYSA-N
Compound name
2-amino-7-bromo-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

314.96432 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.971596 162.1
[M+Na]+ 337.953538 179.0
[M-H]- 313.957044 167.0
[M+NH4]+ 332.998143 177.6
[M+K]+ 353.927478 165.5
[M+H-H2O]+ 297.961580 153.5
[M+HCOO]- 359.962521 180.6
[M+CH3COO]- 373.978171 174.8
[M+Na-2H]- 335.938986 170.5
[M]+ 314.96377142 176.4
[M]- 314.96486858 176.4
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

patents stripe