CID 120519

5-chloro-n-methyl-2-(methylamino)benzamide

Structural Information

Molecular Formula

C₉H₁₁ClN₂O

SMILES

CNC1=C(C=C(C=C1)Cl)C(=O)NC

InChI

InChI=1S/C9H11ClN2O/c1-11-8-4-3-6(10)5-7(8)9(13)12-2/h3-5,11H,1-2H3,(H,12,13)

InChIKey

BMCOSVQERMMXFD-UHFFFAOYSA-N

Compound name

5-chloro-N-methyl-2-(methylamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.05598 Da
Monoisotopic Mass: 2.3
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]+	199.063256	141.3
[M+Na]+	221.045198	149.7
[M-H]-	197.048704	145.3
[M+NH4]+	216.089803	161.3
[M+K]+	237.019138	146.0
[M+H-H2O]+	181.053240	136.2
[M+HCOO]-	243.054181	162.7
[M+CH3COO]-	257.069831	188.5
[M+Na-2H]-	219.030646	146.8
[M]+	198.05543142	142.5
[M]-	198.05652858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe