CID 3071970

4h-imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-butyl-5-phenyl-

Structural Information

Molecular Formula
C19H18N4O
SMILES
CCCCN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H18N4O/c1-2-3-12-22-13-21-16-15-10-7-11-20-18(15)23(19(24)17(16)22)14-8-5-4-6-9-14/h4-11,13H,2-3,12H2,1H3
InChIKey
HAOGXHLXELFKLN-UHFFFAOYSA-N
Compound name
3-butyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

318.14807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 177.6
[M+Na]+ 341.13729 189.4
[M-H]- 317.14079 181.6
[M+NH4]+ 336.18189 190.5
[M+K]+ 357.11123 181.7
[M+H-H2O]+ 301.14533 166.5
[M+HCOO]- 363.14627 196.6
[M+CH3COO]- 377.16192 188.5
[M+Na-2H]- 339.12274 183.5
[M]+ 318.14752 182.0
[M]- 318.14862 182.0
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