CID 22188

Terbacil

Structural Information

Molecular Formula

C₉H₁₃ClN₂O₂

SMILES

CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl

InChI

InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)

InChIKey

NBQCNZYJJMBDKY-UHFFFAOYSA-N

Compound name

3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 18
References: 20500
Patents: 216.06656 Da
Monoisotopic Mass: 1.9
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]+	217.07384	144.8
[M+Na]+	239.05578	158.9
[M+NH4]+	234.10038	151.4
[M+K]+	255.02972	153.6
[M-H]-	215.05928	144.1
[M+Na-2H]-	237.04123	149.9
[M]+	216.06601	146.9
[M]-	216.06711	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe