CID 25157282

2-amino-5-cyano-n,3-dimethylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CC1=CC(=CC(=C1N)C(=O)NC)C#N

InChI

InChI=1S/C10H11N3O/c1-6-3-7(5-11)4-8(9(6)12)10(14)13-2/h3-4H,12H2,1-2H3,(H,13,14)

InChIKey

UOCPQZOXOQZEGV-UHFFFAOYSA-N

Compound name

2-amino-5-cyano-N,3-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 229
Patents: 189.09021 Da
Monoisotopic Mass: 1.2
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]+	190.09749	144.4
[M+Na]+	212.07943	154.8
[M+NH4]+	207.12403	148.4
[M+K]+	228.05337	146.5
[M-H]-	188.08293	139.5
[M+Na-2H]-	210.06488	147.1
[M]+	189.08966	143.4
[M]-	189.09076	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe