CID 10705571

3-(6-amino-1,7-naphthyridin-8-yl)benzonitrile

Structural Information

Molecular Formula
C15H10N4
SMILES
C1=CC(=CC(=C1)C2=C3C(=CC(=N2)N)C=CC=N3)C#N
InChI
InChI=1S/C15H10N4/c16-9-10-3-1-4-11(7-10)15-14-12(5-2-6-18-14)8-13(17)19-15/h1-8H,(H2,17,19)
InChIKey
SBMDNJKKPUCYBG-UHFFFAOYSA-N
Compound name
3-(6-amino-1,7-naphthyridin-8-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

246.09055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09783 159.9
[M+Na]+ 269.07977 171.3
[M-H]- 245.08327 162.6
[M+NH4]+ 264.12437 172.9
[M+K]+ 285.05371 163.2
[M+H-H2O]+ 229.08781 144.1
[M+HCOO]- 291.08875 177.3
[M+CH3COO]- 305.10440 169.7
[M+Na-2H]- 267.06522 166.5
[M]+ 246.09000 152.9
[M]- 246.09110 152.9
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

patents stripe