CID 247028

2-chloropyrimidine-4-carboxamide

Structural Information

Molecular Formula

C₅H₄ClN₃O

SMILES

C1=CN=C(N=C1C(=O)N)Cl

InChI

InChI=1S/C5H4ClN3O/c6-5-8-2-1-3(9-5)4(7)10/h1-2H,(H2,7,10)

InChIKey

UXXQEVFRPLIOHJ-UHFFFAOYSA-N

Compound name

2-chloropyrimidine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 157.00429 Da
Monoisotopic Mass: 0.4
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]+	158.01157	126.5
[M+Na]+	179.99351	139.6
[M+NH4]+	175.03811	134.3
[M+K]+	195.96745	134.3
[M-H]-	155.99701	127.5
[M+Na-2H]-	177.97896	133.6
[M]+	157.00374	128.7
[M]-	157.00484	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe