CID 17514

N-ethylammelide

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

CCNC1=NC(=O)NC(=O)N1

InChI

InChI=1S/C5H8N4O2/c1-2-6-3-7-4(10)9-5(11)8-3/h2H2,1H3,(H3,6,7,8,9,10,11)

InChIKey

ILHRXTGGTUPFJR-UHFFFAOYSA-N

Compound name

6-(ethylamino)-1H-1,3,5-triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 52
Patents: 156.06473 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]+	157.07201	129.7
[M+Na]+	179.05395	141.1
[M+NH4]+	174.09855	135.0
[M+K]+	195.02789	137.0
[M-H]-	155.05745	128.3
[M+Na-2H]-	177.03940	134.7
[M]+	156.06418	130.4
[M]-	156.06528	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe