CID 1551525

34960-71-9

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: 113
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	128.3
[M+Na]+	183.00440	139.5
[M-H]-	159.00790	128.6
[M+NH4]+	178.04900	146.5
[M+K]+	198.97834	135.2
[M+H-H2O]+	143.01244	122.6
[M+HCOO]-	205.01338	147.6
[M+CH3COO]-	219.02903	176.9
[M+Na-2H]-	180.98985	135.5
[M]+	160.01463	126.8
[M]-	160.01573	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe