CID 135408762

2,6-diamino-5-nitroso-1h-pyrimidin-4-one

Structural Information

Molecular Formula

C₄H₅N₅O₂

SMILES

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

InChI

InChI=1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)

InChIKey

HVMRLFSFHWCUCG-UHFFFAOYSA-N

Compound name

2,4-diamino-5-nitroso-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 179
Patents: 155.04433 Da
Monoisotopic Mass: -1.6
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]+	156.051606	127.2
[M+Na]+	178.033548	137.5
[M-H]-	154.037054	128.7
[M+NH4]+	173.078153	144.6
[M+K]+	194.007488	135.3
[M+H-H2O]+	138.041590	119.8
[M+HCOO]-	200.042531	153.3
[M+CH3COO]-	214.058181	181.6
[M+Na-2H]-	176.018996	134.7
[M]+	155.04378142	124.6
[M]-	155.04487858	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe