CID 3071978

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

Structural Information

Molecular Formula
C19H16N4O3
SMILES
CC(=O)OCCN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N4O3/c1-13(24)26-11-10-22-12-21-16-15-8-5-9-20-18(15)23(19(25)17(16)22)14-6-3-2-4-7-14/h2-9,12H,10-11H2,1H3
InChIKey
YSBXMABVIRRYOG-UHFFFAOYSA-N
Compound name
2-(4-oxo-5-phenylimidazo[4,5-c][1,8]naphthyridin-3-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

348.12225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12953 181.1
[M+Na]+ 371.11147 197.6
[M+NH4]+ 366.15607 187.4
[M+K]+ 387.08541 191.8
[M-H]- 347.11497 183.5
[M+Na-2H]- 369.09692 188.4
[M]+ 348.12170 184.1
[M]- 348.12280 184.1
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