CID 3021729

Ci-930

Structural Information

Molecular Formula

C₁₄H₁₄N₄O

SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C14H14N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-7,9-10H,8H2,1H3,(H,16,19)

InChIKey

AEZZPAQOEUQNBB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 38
References: 145
Patents: 254.11676 Da
Monoisotopic Mass: 1.2
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]+	255.12404	159.5
[M+Na]+	277.10598	173.7
[M+NH4]+	272.15058	166.3
[M+K]+	293.07992	168.7
[M-H]-	253.10948	162.6
[M+Na-2H]-	275.09143	167.9
[M]+	254.11621	162.2
[M]-	254.11731	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe