CID 2724406

1672-48-6

Structural Information

Molecular Formula

C₄H₄N₄O₂S

SMILES

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

InChI

InChI=1S/C4H4N4O2S/c5-2-1(8-10)3(9)7-4(11)6-2/h(H4,5,6,7,9,11)

InChIKey

UOWCFGBLAMCSFY-UHFFFAOYSA-N

Compound name

6-amino-5-nitroso-2-sulfanylidene-1H-pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 253
Patents: 172.0055 Da
Monoisotopic Mass: -0.7
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]+	173.01278	130.1
[M+Na]+	194.99472	141.1
[M-H]-	170.99822	130.6
[M+NH4]+	190.03932	147.2
[M+K]+	210.96866	136.3
[M+H-H2O]+	155.00276	123.6
[M+HCOO]-	217.00370	149.0
[M+CH3COO]-	231.01935	177.5
[M+Na-2H]-	192.98017	134.6
[M]+	172.00495	128.7
[M]-	172.00605	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe