CID 3071972

4h-imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-oxopropyl)-5-phenyl-

Structural Information

Molecular Formula
C18H14N4O2
SMILES
CC(=O)CN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4O2/c1-12(23)10-21-11-20-15-14-8-5-9-19-17(14)22(18(24)16(15)21)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3
InChIKey
DKHMYFOOKMHPBP-UHFFFAOYSA-N
Compound name
3-(2-oxopropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

318.11166 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.118936 175.0
[M+Na]+ 341.100878 186.9
[M-H]- 317.104384 179.4
[M+NH4]+ 336.145483 187.6
[M+K]+ 357.074818 180.1
[M+H-H2O]+ 301.108920 164.2
[M+HCOO]- 363.109861 193.6
[M+CH3COO]- 377.125511 186.1
[M+Na-2H]- 339.086326 180.5
[M]+ 318.11111142 179.2
[M]- 318.11220858 179.2
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