CID 389801

1055300-46-3

Structural Information

Molecular Formula

C₉H₁₄N₄O₂

SMILES

CN1C(=CC(=O)N(C1=O)C)N=CN(C)C

InChI

InChI=1S/C9H14N4O2/c1-11(2)6-10-7-5-8(14)13(4)9(15)12(7)3/h5-6H,1-4H3

InChIKey

WXPDRYSTJQKFDQ-UHFFFAOYSA-N

Compound name

N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 210.11168 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]+	211.11896	143.1
[M+Na]+	233.10090	154.0
[M-H]-	209.10440	148.1
[M+NH4]+	228.14550	161.0
[M+K]+	249.07484	153.1
[M+H-H2O]+	193.10894	135.2
[M+HCOO]-	255.10988	170.1
[M+CH3COO]-	269.12553	198.3
[M+Na-2H]-	231.08635	149.0
[M]+	210.11113	148.0
[M]-	210.11223	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe