CID 22967232

41616-02-8

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CNC(=O)C1=CC(=CC(=C1)N)C(=O)NC

InChI

InChI=1S/C10H13N3O2/c1-12-9(14)6-3-7(10(15)13-2)5-8(11)4-6/h3-5H,11H2,1-2H3,(H,12,14)(H,13,15)

InChIKey

OUAGKUUKYRRPLE-UHFFFAOYSA-N

Compound name

5-amino-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 207.10077 Da
Monoisotopic Mass: -0.2
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]+	208.10805	145.8
[M+Na]+	230.08999	152.1
[M-H]-	206.09349	149.4
[M+NH4]+	225.13459	163.7
[M+K]+	246.06393	150.5
[M+H-H2O]+	190.09803	139.0
[M+HCOO]-	252.09897	171.2
[M+CH3COO]-	266.11462	194.0
[M+Na-2H]-	228.07544	149.2
[M]+	207.10022	143.5
[M]-	207.10132	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe