CID 104609

53786-45-1

Structural Information

Molecular Formula

C₁₄H₂₀ClN₃O₂

SMILES

CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C14H20ClN3O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8,16H2,1H3

InChIKey

PPCPQDDCMQRJLS-UHFFFAOYSA-N

Compound name

ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 4
Patents: 297.1244 Da
Monoisotopic Mass: 2.7
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	167.9
[M+Na]+	320.11362	178.7
[M+NH4]+	315.15822	175.0
[M+K]+	336.08756	172.3
[M-H]-	296.11712	171.5
[M+Na-2H]-	318.09907	173.4
[M]+	297.12385	170.4
[M]-	297.12495	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe