CID 80760

N-(2,4-diaminophenyl)acetamide

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

CC(=O)NC1=C(C=C(C=C1)N)N

InChI

InChI=1S/C8H11N3O/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,9-10H2,1H3,(H,11,12)

InChIKey

XLXOPVQPBPLVHP-UHFFFAOYSA-N

Compound name

N-(2,4-diaminophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 165.09021 Da
Monoisotopic Mass: -0.4
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]+	166.09749	134.8
[M+Na]+	188.07943	144.4
[M+NH4]+	183.12403	142.3
[M+K]+	204.05337	139.9
[M-H]-	164.08293	137.7
[M+Na-2H]-	186.06488	140.4
[M]+	165.08966	136.5
[M]-	165.09076	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe