CID 1551525

2,6-diamino-4-chloropyrimidine 1-oxide

Structural Information

Molecular Formula

C₄H₅ClN₄O

SMILES

C1=C(N(C(=N)N=C1Cl)O)N

InChI

InChI=1S/C4H5ClN4O/c5-2-1-3(6)9(10)4(7)8-2/h1,7,10H,6H2

InChIKey

DOYINGSIUJRVKA-UHFFFAOYSA-N

Compound name

6-chloro-3-hydroxy-2-iminopyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 160.01518 Da
Monoisotopic Mass: 1.4
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]+	161.02246	126.5
[M+Na]+	183.00440	139.0
[M+NH4]+	178.04900	133.7
[M+K]+	198.97834	134.2
[M-H]-	159.00790	127.5
[M+Na-2H]-	180.98985	132.7
[M]+	160.01463	128.5
[M]-	160.01573	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe