CID 54684105

74693-62-2

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₃

SMILES

CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NN)O

InChI

InChI=1S/C12H13N3O3/c1-2-15-8-6-4-3-5-7(8)10(16)9(12(15)18)11(17)14-13/h3-6,16H,2,13H2,1H3,(H,14,17)

InChIKey

MRPJDQVHRRKWAP-UHFFFAOYSA-N

Compound name

1-ethyl-4-hydroxy-2-oxoquinoline-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 247.09569 Da
Monoisotopic Mass: 1.1
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]+	248.102966	152.9
[M+Na]+	270.084908	162.0
[M-H]-	246.088414	155.2
[M+NH4]+	265.129513	168.9
[M+K]+	286.058848	158.4
[M+H-H2O]+	230.092950	145.8
[M+HCOO]-	292.093891	174.8
[M+CH3COO]-	306.109541	197.4
[M+Na-2H]-	268.070356	158.0
[M]+	247.09514142	152.7
[M]-	247.09623858	152.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.