CID 3019848

84370-86-5

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

C1=CC=C(C=C1)OC2=NC(=N)N(C(=C2)N)O

InChI

InChI=1S/C10H10N4O2/c11-8-6-9(13-10(12)14(8)15)16-7-4-2-1-3-5-7/h1-6,12,15H,11H2

InChIKey

GNQSEISTGYFZSL-UHFFFAOYSA-N

Compound name

3-hydroxy-2-imino-6-phenoxypyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 218.08037 Da
Monoisotopic Mass: 0.5
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]+	219.087646	145.4
[M+Na]+	241.069588	154.6
[M-H]-	217.073094	148.8
[M+NH4]+	236.114193	159.8
[M+K]+	257.043528	150.3
[M+H-H2O]+	201.077630	136.9
[M+HCOO]-	263.078571	169.0
[M+CH3COO]-	277.094221	189.3
[M+Na-2H]-	239.055036	152.9
[M]+	218.07982142	143.2
[M]-	218.08091858	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe