CID 135398708

77440-13-2

Structural Information

Molecular Formula

C₆H₉N₅O₂

SMILES

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

InChI

InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)

InChIKey

CGWDNAFNQOBSCK-UHFFFAOYSA-N

Compound name

N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 77
Patents: 183.07562 Da
Monoisotopic Mass: -2.2
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]+	184.08290	136.1
[M+Na]+	206.06484	145.5
[M+NH4]+	201.10944	141.3
[M+K]+	222.03878	142.7
[M-H]-	182.06834	136.5
[M+Na-2H]-	204.05029	140.4
[M]+	183.07507	136.9
[M]-	183.07617	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe