CID 55918

Imazodan

Structural Information

Molecular Formula

C₁₃H₁₂N₄O

SMILES

C1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C13H12N4O/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17/h1-4,7-9H,5-6H2,(H,16,18)

InChIKey

VXMYWVMXSWJFCV-UHFFFAOYSA-N

Compound name

3-(4-imidazol-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 66
References: 2108
Patents: 240.1011 Da
Monoisotopic Mass: 0.7
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]+	241.10838	154.3
[M+Na]+	263.09032	162.2
[M-H]-	239.09382	157.4
[M+NH4]+	258.13492	166.8
[M+K]+	279.06426	156.6
[M+H-H2O]+	223.09836	143.6
[M+HCOO]-	285.09930	171.7
[M+CH3COO]-	299.11495	164.9
[M+Na-2H]-	261.07577	158.3
[M]+	240.10055	150.0
[M]-	240.10165	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe