CID 3043442

55477-37-7

Structural Information

Molecular Formula

C₇H₇Cl₂N₃O

SMILES

CC1=C(N=C(N=C1Cl)NC(=O)C)Cl

InChI

InChI=1S/C7H7Cl2N3O/c1-3-5(8)11-7(10-4(2)13)12-6(3)9/h1-2H3,(H,10,11,12,13)

InChIKey

GJYONWBFPOXMPC-UHFFFAOYSA-N

Compound name

N-(4,6-dichloro-5-methylpyrimidin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 218.99661 Da
Monoisotopic Mass: 2.0
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]+	220.00389	140.8
[M+Na]+	241.98583	152.0
[M-H]-	217.98933	141.9
[M+NH4]+	237.03043	158.2
[M+K]+	257.95977	147.5
[M+H-H2O]+	201.99387	135.3
[M+HCOO]-	263.99481	154.1
[M+CH3COO]-	278.01046	188.8
[M+Na-2H]-	239.97128	145.9
[M]+	218.99606	144.2
[M]-	218.99716	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe