CID 478705

Chembl40537

Structural Information

Molecular Formula

C₁₇H₁₆N₄O₂

SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)NN

InChI

InChI=1S/C17H16N4O2/c1-2-21-10-14(17(23)20-18)16(22)13-4-3-12(9-15(13)21)11-5-7-19-8-6-11/h3-10H,2,18H2,1H3,(H,20,23)

InChIKey

SUSIXMYMANAMPM-UHFFFAOYSA-N

Compound name

1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 308.12732 Da
Monoisotopic Mass: -0.4
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]+	309.13460	171.9
[M+Na]+	331.11654	180.7
[M-H]-	307.12004	177.0
[M+NH4]+	326.16114	184.2
[M+K]+	347.09048	175.1
[M+H-H2O]+	291.12458	162.0
[M+HCOO]-	353.12552	193.5
[M+CH3COO]-	367.14117	211.2
[M+Na-2H]-	329.10199	177.6
[M]+	308.12677	171.8
[M]-	308.12787	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe