CID 3071959

Brn 4877004

Structural Information

Molecular Formula
C16H12N4O
SMILES
CN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C16H12N4O/c1-19-10-18-13-12-8-5-9-17-15(12)20(16(21)14(13)19)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
QTLGGVWDGXZCST-UHFFFAOYSA-N
Compound name
3-methyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

276.1011 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10838 164.0
[M+Na]+ 299.09032 177.3
[M-H]- 275.09382 168.6
[M+NH4]+ 294.13492 178.7
[M+K]+ 315.06426 170.2
[M+H-H2O]+ 259.09836 153.6
[M+HCOO]- 321.09930 184.1
[M+CH3COO]- 335.11495 176.3
[M+Na-2H]- 297.07577 171.5
[M]+ 276.10055 167.5
[M]- 276.10165 167.5
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