CID 22966719

2,4-diamino-n-methylbenzamide

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

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

InChI

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

InChIKey

KJEOLSJWEMEJDY-UHFFFAOYSA-N

Compound name

2,4-diamino-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.09021 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]+	166.09749	134.4
[M+Na]+	188.07943	141.7
[M-H]-	164.08293	137.8
[M+NH4]+	183.12403	153.9
[M+K]+	204.05337	139.6
[M+H-H2O]+	148.08747	128.2
[M+HCOO]-	210.08841	160.5
[M+CH3COO]-	224.10406	185.7
[M+Na-2H]-	186.06488	139.1
[M]+	165.08966	130.4
[M]-	165.09076	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe