CID 3071968

139482-11-4

Structural Information

Molecular Formula

C₁₄H₁₆N₄O

SMILES

CCCCN1C2=C(C=CC=N2)C3=C(C1=O)N=CN3C

InChI

InChI=1S/C14H16N4O/c1-3-4-8-18-13-10(6-5-7-15-13)12-11(14(18)19)16-9-17(12)2/h5-7,9H,3-4,8H2,1-2H3

InChIKey

BOHGODZVBZWKSR-UHFFFAOYSA-N

Compound name

5-butyl-1-methylimidazo[4,5-c][1,8]naphthyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 256.13242 Da
Monoisotopic Mass: 1.6
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]+	257.13970	159.1
[M+Na]+	279.12164	175.1
[M+NH4]+	274.16624	166.6
[M+K]+	295.09558	169.0
[M-H]-	255.12514	160.1
[M+Na-2H]-	277.10709	164.9
[M]+	256.13187	161.7
[M]-	256.13297	161.7

Literature stripe

literature stripe

Patent stripe

patents stripe