CID 73820

3-(8-quinolylazo)-2,4-pentanedione

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

CC(=O)C(C(=O)C)N=NC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C14H13N3O2/c1-9(18)13(10(2)19)17-16-12-7-3-5-11-6-4-8-15-14(11)12/h3-8,13H,1-2H3

InChIKey

IXWTUGLUEGKANR-UHFFFAOYSA-N

Compound name

3-(quinolin-8-yldiazenyl)pentane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.10077 Da
Monoisotopic Mass: 2.1
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]+	256.108046	156.1
[M+Na]+	278.089988	162.7
[M-H]-	254.093494	161.8
[M+NH4]+	273.134593	173.0
[M+K]+	294.063928	161.2
[M+H-H2O]+	238.098030	147.5
[M+HCOO]-	300.098971	180.6
[M+CH3COO]-	314.114621	206.1
[M+Na-2H]-	276.075436	162.5
[M]+	255.10022142	158.5
[M]-	255.10131858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe