CID 175931

103286-63-1

Structural Information

Molecular Formula

C₁₂H₁₇ClN₄O₂

SMILES

CC(C)(C)C1=CC(=NN=C1Cl)N2C(CN(C2=O)C)O

InChI

InChI=1S/C12H17ClN4O2/c1-12(2,3)7-5-8(14-15-10(7)13)17-9(18)6-16(4)11(17)19/h5,9,18H,6H2,1-4H3

InChIKey

JRKVZDKZVPVHOX-UHFFFAOYSA-N

Compound name

3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 284.104 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]+	285.111276	167.3
[M+Na]+	307.093218	177.9
[M-H]-	283.096724	168.2
[M+NH4]+	302.137823	180.4
[M+K]+	323.067158	173.0
[M+H-H2O]+	267.101260	159.3
[M+HCOO]-	329.102201	177.4
[M+CH3COO]-	343.117851	197.9
[M+Na-2H]-	305.078666	167.7
[M]+	284.10345142	168.9
[M]-	284.10454858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe