CID 3077039

Brn 5820719

Structural Information

Molecular Formula

C₁₄H₁₆N₄O

SMILES

CCCCN1C2=CC=CC=C2C3=C(C1=O)N=NN3C

InChI

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

InChIKey

ALYJSGJFRZYQBS-UHFFFAOYSA-N

Compound name

5-butyl-1-methyltriazolo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 256.13242 Da
Monoisotopic Mass: 2.0
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	160.2
[M+Na]+	279.12164	173.2
[M-H]-	255.12514	161.4
[M+NH4]+	274.16624	176.5
[M+K]+	295.09558	167.5
[M+H-H2O]+	239.12968	151.1
[M+HCOO]-	301.13062	179.9
[M+CH3COO]-	315.14627	172.6
[M+Na-2H]-	277.10709	166.7
[M]+	256.13187	165.8
[M]-	256.13297	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe