CID 67051

Uramil

Structural Information

Molecular Formula

C₄H₅N₃O₃

SMILES

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

InChI

InChI=1S/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)

InChIKey

PSQZLWHRJMYZHD-UHFFFAOYSA-N

Compound name

5-amino-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1085
Patents: 143.0331 Da
Monoisotopic Mass: -2.1
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	127.2
[M+Na]+	166.02232	135.6
[M-H]-	142.02582	125.3
[M+NH4]+	161.06692	144.2
[M+K]+	181.99626	132.7
[M+H-H2O]+	126.03036	121.2
[M+HCOO]-	188.03130	145.0
[M+CH3COO]-	202.04695	169.3
[M+Na-2H]-	164.00777	131.1
[M]+	143.03255	119.9
[M]-	143.03365	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe