CID 135517995

Cyanamide, n-(1,4,5,6-tetrahydro-4,6-dioxo-2-pyrimidinyl)-

Structural Information

Molecular Formula

C₅H₄N₄O₂

SMILES

C1C(=O)NC(=NC#N)NC1=O

InChI

InChI=1S/C5H4N4O2/c6-2-7-5-8-3(10)1-4(11)9-5/h1H2,(H2,7,8,9,10,11)

InChIKey

JCHNBNRIALLIDT-UHFFFAOYSA-N

Compound name

(4,6-dioxo-1,3-diazinan-2-ylidene)cyanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 40
Patents: 152.03343 Da
Monoisotopic Mass: -1.1
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]+	153.04071	135.0
[M+Na]+	175.02265	143.8
[M+NH4]+	170.06725	137.3
[M+K]+	190.99659	136.6
[M-H]-	151.02615	126.9
[M+Na-2H]-	173.00810	135.6
[M]+	152.03288	132.5
[M]-	152.03398	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe