CID 385885

Nsc677285

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

C1=CC=C(C=C1)NNC2=CC(=O)NC(=O)N2

InChI

InChI=1S/C10H10N4O2/c15-9-6-8(11-10(16)12-9)14-13-7-4-2-1-3-5-7/h1-6,13H,(H3,11,12,14,15,16)

InChIKey

SKXCLZITDKRUMF-UHFFFAOYSA-N

Compound name

6-(2-phenylhydrazinyl)-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 218.08037 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]+	219.08765	143.9
[M+Na]+	241.06959	152.0
[M-H]-	217.07309	145.9
[M+NH4]+	236.11419	157.5
[M+K]+	257.04353	146.5
[M+H-H2O]+	201.07763	135.4
[M+HCOO]-	263.07857	166.8
[M+CH3COO]-	277.09422	185.6
[M+Na-2H]-	239.05504	152.8
[M]+	218.07982	139.7
[M]-	218.08092	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe