CID 163735

104822-41-5

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₂

SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-13(2,3)9-5-6-14-10(7-9)16-11(17)8-15(4)12(16)18/h5-7,11,17H,8H2,1-4H3

InChIKey

JPYXVWROKRXYHK-UHFFFAOYSA-N

Compound name

3-(4-tert-butyl-2-pyridinyl)-4-hydroxy-1-methylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 249.14772 Da
Monoisotopic Mass: 1.5
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]+	250.154996	160.1
[M+Na]+	272.136938	169.0
[M-H]-	248.140444	162.2
[M+NH4]+	267.181543	175.1
[M+K]+	288.110878	165.6
[M+H-H2O]+	232.144980	152.5
[M+HCOO]-	294.145921	176.2
[M+CH3COO]-	308.161571	192.9
[M+Na-2H]-	270.122386	161.5
[M]+	249.14717142	159.6
[M]-	249.14826858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe