CID 44573

63639-44-1

Structural Information

Molecular Formula

C₁₄H₂₀ClN₃O₂

SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C14H20ClN3O2/c1-18-5-3-9(4-6-18)17-14(19)10-7-11(15)12(16)8-13(10)20-2/h7-9H,3-6,16H2,1-2H3,(H,17,19)

InChIKey

IYGMGKYKMGATRC-UHFFFAOYSA-N

Compound name

4-amino-5-chloro-2-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 297.1244 Da
Monoisotopic Mass: 2.4
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]+	298.13168	169.5
[M+Na]+	320.11362	175.7
[M-H]-	296.11712	174.0
[M+NH4]+	315.15822	183.7
[M+K]+	336.08756	171.3
[M+H-H2O]+	280.12166	162.0
[M+HCOO]-	342.12260	184.7
[M+CH3COO]-	356.13825	207.1
[M+Na-2H]-	318.09907	169.8
[M]+	297.12385	167.6
[M]-	297.12495	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe