CID 79510

5442-24-0

Structural Information

Molecular Formula

C₄H₄N₄O₃

SMILES

C1(=C(NC(=O)NC1=O)N)N=O

InChI

InChI=1S/C4H4N4O3/c5-2-1(8-11)3(9)7-4(10)6-2/h(H4,5,6,7,9,10)

InChIKey

DKPCSXFEWFSECE-UHFFFAOYSA-N

Compound name

6-amino-5-nitroso-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 256
Patents: 156.02834 Da
Monoisotopic Mass: -1.3
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]+	157.03562	126.4
[M+Na]+	179.01756	137.2
[M+NH4]+	174.06216	131.6
[M+K]+	194.99150	134.2
[M-H]-	155.02106	125.8
[M+Na-2H]-	177.00301	131.2
[M]+	156.02779	127.2
[M]-	156.02889	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe