CID 163723

103286-94-8

Structural Information

Molecular Formula

C₁₂H₁₈N₄O₂

SMILES

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

InChI

InChI=1S/C12H18N4O2/c1-12(2,3)8-5-9(14-13-6-8)16-10(17)7-15(4)11(16)18/h5-6,10,17H,7H2,1-4H3

InChIKey

QYRLDVZHWUYIPJ-UHFFFAOYSA-N

Compound name

3-(5-tert-butylpyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 250.14297 Da
Monoisotopic Mass: 0.5
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]+	251.150246	161.2
[M+Na]+	273.132188	170.5
[M-H]-	249.135694	162.1
[M+NH4]+	268.176793	174.7
[M+K]+	289.106128	167.1
[M+H-H2O]+	233.140230	152.9
[M+HCOO]-	295.141171	176.2
[M+CH3COO]-	309.156821	192.9
[M+Na-2H]-	271.117636	162.9
[M]+	250.14242142	160.8
[M]-	250.14351858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe