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

24
Patents

246.09055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.097826 159.9
[M+Na]+ 269.079768 171.3
[M-H]- 245.083274 162.6
[M+NH4]+ 264.124373 172.9
[M+K]+ 285.053708 163.2
[M+H-H2O]+ 229.087810 144.1
[M+HCOO]- 291.088751 177.3
[M+CH3COO]- 305.104401 169.7
[M+Na-2H]- 267.065216 166.5
[M]+ 246.09000142 152.9
[M]- 246.09109858 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