CID 137963913

3-iodo-1,6-naphthyridin-4-amine

Structural Information

Molecular Formula
C8H6IN3
SMILES
C1=CN=CC2=C(C(=CN=C21)I)N
InChI
InChI=1S/C8H6IN3/c9-6-4-12-7-1-2-11-3-5(7)8(6)10/h1-4H,(H2,10,12)
InChIKey
NSKWJTFKOWYQIN-UHFFFAOYSA-N
Compound name
3-iodo-1,6-naphthyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.96063 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.967906 136.8
[M+Na]+ 293.949848 139.8
[M-H]- 269.953354 131.7
[M+NH4]+ 288.994453 150.8
[M+K]+ 309.923788 142.1
[M+H-H2O]+ 253.957890 126.0
[M+HCOO]- 315.958831 154.2
[M+CH3COO]- 329.974481 146.0
[M+Na-2H]- 291.935296 134.7
[M]+ 270.96008142 132.9
[M]- 270.96117858 132.9
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.