CID 16770717

4-amino-2-chloro-n-propylbenzamide

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CCCNC(=O)C1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C10H13ClN2O/c1-2-5-13-10(14)8-4-3-7(12)6-9(8)11/h3-4,6H,2,5,12H2,1H3,(H,13,14)

InChIKey

QSXXLLRXBMOBBI-UHFFFAOYSA-N

Compound name

4-amino-2-chloro-N-propylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 212.07164 Da
Monoisotopic Mass: 2.2
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]+	213.07892	145.3
[M+Na]+	235.06086	157.0
[M+NH4]+	230.10546	153.4
[M+K]+	251.03480	150.4
[M-H]-	211.06436	148.1
[M+Na-2H]-	233.04631	151.4
[M]+	212.07109	147.8
[M]-	212.07219	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe