CID 3071971

Brn 5882702

Structural Information

Molecular Formula
C19H18N4O
SMILES
CC(C)CN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H18N4O/c1-13(2)11-22-12-21-16-15-9-6-10-20-18(15)23(19(24)17(16)22)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3
InChIKey
UWJAFRDFISOYFE-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

318.14807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 175.4
[M+Na]+ 341.13729 192.9
[M+NH4]+ 336.18189 183.1
[M+K]+ 357.11123 186.1
[M-H]- 317.14079 179.0
[M+Na-2H]- 339.12274 183.7
[M]+ 318.14752 179.1
[M]- 318.14862 179.1
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