CID 3071939

Brn 4877084

Structural Information

Molecular Formula

C₁₇H₁₄N₄O

SMILES

CCN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H14N4O/c1-2-20-11-19-14-13-9-6-10-18-16(13)21(17(22)15(14)20)12-7-4-3-5-8-12/h3-11H,2H2,1H3

InChIKey

IFOBHIRVXLLDIB-UHFFFAOYSA-N

Compound name

3-ethyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 290.11676 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.12404	168.5
[M+Na]+	313.10598	181.4
[M-H]-	289.10948	173.0
[M+NH4]+	308.15058	182.6
[M+K]+	329.07992	174.1
[M+H-H2O]+	273.11402	157.9
[M+HCOO]-	335.11496	188.3
[M+CH3COO]-	349.13061	180.4
[M+Na-2H]-	311.09143	175.5
[M]+	290.11621	172.4
[M]-	290.11731	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe