CID 88855458

2-chloro-n,6-dimethylpyrimidine-4-carboxamide

Structural Information

Molecular Formula

C₇H₈ClN₃O

SMILES

CC1=CC(=NC(=N1)Cl)C(=O)NC

InChI

InChI=1S/C7H8ClN3O/c1-4-3-5(6(12)9-2)11-7(8)10-4/h3H,1-2H3,(H,9,12)

InChIKey

VXDUVRFGTXTIOF-UHFFFAOYSA-N

Compound name

2-chloro-N,6-dimethylpyrimidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 185.03558 Da
Monoisotopic Mass: 1.2
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]+	186.04286	135.7
[M+Na]+	208.02480	149.1
[M+NH4]+	203.06940	143.3
[M+K]+	223.99874	143.2
[M-H]-	184.02830	136.8
[M+Na-2H]-	206.01025	142.5
[M]+	185.03503	138.0
[M]-	185.03613	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe