CID 42499

57645-49-5

Structural Information

Molecular Formula

C₁₃H₁₈ClN₃O₂

SMILES

COC1=CC(=C(C=C1C(=O)NC2CCNCC2)Cl)N

InChI

InChI=1S/C13H18ClN3O2/c1-19-12-7-11(15)10(14)6-9(12)13(18)17-8-2-4-16-5-3-8/h6-8,16H,2-5,15H2,1H3,(H,17,18)

InChIKey

RUQHFNWNPDBISK-UHFFFAOYSA-N

Compound name

4-amino-5-chloro-2-methoxy-N-piperidin-4-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 26
Patents: 283.10876 Da
Monoisotopic Mass: 2.0
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]+	284.11604	164.6
[M+Na]+	306.09798	169.9
[M-H]-	282.10148	167.5
[M+NH4]+	301.14258	178.4
[M+K]+	322.07192	164.8
[M+H-H2O]+	266.10602	157.3
[M+HCOO]-	328.10696	178.7
[M+CH3COO]-	342.12261	200.5
[M+Na-2H]-	304.08343	165.8
[M]+	283.10821	160.2
[M]-	283.10931	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe