CID 123942

Senazodan

Structural Information

Molecular Formula

C₁₅H₁₄N₄O

SMILES

C1CC(=O)NN=C1C2=CC=C(C=C2)NC3=CC=NC=C3

InChI

InChI=1S/C15H14N4O/c20-15-6-5-14(18-19-15)11-1-3-12(4-2-11)17-13-7-9-16-10-8-13/h1-4,7-10H,5-6H2,(H,16,17)(H,19,20)

InChIKey

XEBRQQXYWHMEQW-UHFFFAOYSA-N

Compound name

3-[4-(pyridin-4-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 69
References: 430
Patents: 266.11676 Da
Monoisotopic Mass: 1.4
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]+	267.12404	161.2
[M+Na]+	289.10598	167.4
[M-H]-	265.10948	165.0
[M+NH4]+	284.15058	171.7
[M+K]+	305.07992	161.0
[M+H-H2O]+	249.11402	150.2
[M+HCOO]-	311.11496	179.4
[M+CH3COO]-	325.13061	170.8
[M+Na-2H]-	287.09143	168.0
[M]+	266.11621	155.5
[M]-	266.11731	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe