CID 10198177

171887-03-9

Structural Information

Molecular Formula

C₅H₄Cl₂N₄O

SMILES

C(=O)NC1=C(N=C(N=C1Cl)N)Cl

InChI

InChI=1S/C5H4Cl2N4O/c6-3-2(9-1-12)4(7)11-5(8)10-3/h1H,(H,9,12)(H2,8,10,11)

InChIKey

XYWHZUCZNRMJGO-UHFFFAOYSA-N

Compound name

N-(2-amino-4,6-dichloropyrimidin-5-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 255
Patents: 205.97621 Da
Monoisotopic Mass: 1.0
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]+	206.98349	136.2
[M+Na]+	228.96543	149.5
[M+NH4]+	224.01003	143.6
[M+K]+	244.93937	143.4
[M-H]-	204.96893	137.4
[M+Na-2H]-	226.95088	142.7
[M]+	205.97566	138.7
[M]-	205.97676	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe