CID 77518

Isouramil

Structural Information

Molecular Formula

C₄H₅N₃O₃

SMILES

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

InChI

InChI=1S/C4H5N3O3/c5-2-1(8)3(9)7-4(10)6-2/h8H,(H4,5,6,7,9,10)

InChIKey

SPOYOCCBDWULRZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 73
Patents: 143.0331 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]+	144.04038	124.7
[M+Na]+	166.02232	135.4
[M-H]-	142.02582	122.6
[M+NH4]+	161.06692	141.5
[M+K]+	181.99626	131.5
[M+H-H2O]+	126.03036	118.8
[M+HCOO]-	188.03130	145.1
[M+CH3COO]-	202.04695	166.8
[M+Na-2H]-	164.00777	131.0
[M]+	143.03255	120.5
[M]-	143.03365	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe