CID 13475881

94937-83-4

Structural Information

Molecular Formula

C₁₄H₁₂N₄O

SMILES

CN1C=C(N=C1C2=CC=CC=C2)C3=NNC(=O)C=C3

InChI

InChI=1S/C14H12N4O/c1-18-9-12(11-7-8-13(19)17-16-11)15-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)

InChIKey

LHJRNBMQDFCVNW-UHFFFAOYSA-N

Compound name

3-(1-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 252.1011 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]+	253.108376	156.9
[M+Na]+	275.090318	167.4
[M-H]-	251.093824	161.0
[M+NH4]+	270.134923	169.4
[M+K]+	291.064258	160.9
[M+H-H2O]+	235.098360	146.5
[M+HCOO]-	297.099301	176.7
[M+CH3COO]-	311.114951	168.5
[M+Na-2H]-	273.075766	161.7
[M]+	252.10055142	156.1
[M]-	252.10164858	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe