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: 230
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	145.4
[M+Na]+	212.07943	155.2
[M-H]-	188.08293	148.8
[M+NH4]+	207.12403	162.7
[M+K]+	228.05337	152.6
[M+H-H2O]+	172.08747	133.0
[M+HCOO]-	234.08841	166.5
[M+CH3COO]-	248.10406	201.1
[M+Na-2H]-	210.06488	148.4
[M]+	189.08966	139.1
[M]-	189.09076	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe