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

16
Patents

314.96432 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.97160 162.1
[M+Na]+ 337.95354 179.0
[M-H]- 313.95704 167.0
[M+NH4]+ 332.99814 177.6
[M+K]+ 353.92748 165.5
[M+H-H2O]+ 297.96158 153.5
[M+HCOO]- 359.96252 180.6
[M+CH3COO]- 373.97817 174.8
[M+Na-2H]- 335.93899 170.5
[M]+ 314.96377 176.4
[M]- 314.96487 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