CID 460272

Win49115

Structural Information

Molecular Formula
C15H13N3O
SMILES
CCN1C=CC(=O)C2=C1N=C(C=C2)C3=CC=NC=C3
InChI
InChI=1S/C15H13N3O/c1-2-18-10-7-14(19)12-3-4-13(17-15(12)18)11-5-8-16-9-6-11/h3-10H,2H2,1H3
InChIKey
XWOCPLSXGOHEDU-UHFFFAOYSA-N
Compound name
1-ethyl-7-pyridin-4-yl-1,8-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11315 157.7
[M+Na]+ 274.09509 168.3
[M-H]- 250.09859 161.6
[M+NH4]+ 269.13969 171.7
[M+K]+ 290.06903 162.4
[M+H-H2O]+ 234.10313 147.5
[M+HCOO]- 296.10407 177.6
[M+CH3COO]- 310.11972 169.6
[M+Na-2H]- 272.08054 166.1
[M]+ 251.10532 159.0
[M]- 251.10642 159.0
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.