CID 3071969

Brn 5880894

Structural Information

Molecular Formula
C18H16N4O
SMILES
CCCN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C18H16N4O/c1-2-11-21-12-20-15-14-9-6-10-19-17(14)22(18(23)16(15)21)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3
InChIKey
HYGDKGIPWGAYQN-UHFFFAOYSA-N
Compound name
5-phenyl-3-propylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

304.13242 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 171.5
[M+Na]+ 327.12164 189.6
[M+NH4]+ 322.16624 179.6
[M+K]+ 343.09558 182.2
[M-H]- 303.12514 175.3
[M+Na-2H]- 325.10709 180.4
[M]+ 304.13187 175.4
[M]- 304.13297 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe