CID 20444434

4-amino-3-methoxy-n-methylbenzamide

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-11-9(12)6-3-4-7(10)8(5-6)13-2/h3-5H,10H2,1-2H3,(H,11,12)

InChIKey

WPMXJQCASHLEMI-UHFFFAOYSA-N

Compound name

4-amino-3-methoxy-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 180.08987 Da
Monoisotopic Mass: 0.5
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]+	181.09715	138.2
[M+Na]+	203.07909	148.8
[M+NH4]+	198.12369	145.7
[M+K]+	219.05303	143.9
[M-H]-	179.08259	140.5
[M+Na-2H]-	201.06454	144.0
[M]+	180.08932	140.1
[M]-	180.09042	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe