CID 457450

Chembl311563

Structural Information

Molecular Formula

C₁₁H₁₂N₄O

SMILES

C1=CC2=C(C=CC(=C2)NCC(=O)NN)N=C1

InChI

InChI=1S/C11H12N4O/c12-15-11(16)7-14-9-3-4-10-8(6-9)2-1-5-13-10/h1-6,14H,7,12H2,(H,15,16)

InChIKey

KPSSQAWXCGTTJC-UHFFFAOYSA-N

Compound name

2-(quinolin-6-ylamino)acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 216.1011 Da
Monoisotopic Mass: 1.3
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]+	217.10838	144.0
[M+Na]+	239.09032	150.4
[M-H]-	215.09382	146.7
[M+NH4]+	234.13492	160.9
[M+K]+	255.06426	147.1
[M+H-H2O]+	199.09836	136.2
[M+HCOO]-	261.09930	168.4
[M+CH3COO]-	275.11495	194.4
[M+Na-2H]-	237.07577	153.0
[M]+	216.10055	141.3
[M]-	216.10165	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe