CID 24894151

Ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H18ClN3O2
SMILES
CCOC(=O)N1CCC(CC1)NC2=NC=CC(=C2)Cl
InChI
InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-7-4-11(5-8-17)16-12-9-10(14)3-6-15-12/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)
InChIKey
YQEYLCGMINXDBN-UHFFFAOYSA-N
Compound name
ethyl 4-[(4-chloropyridin-2-yl)amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

283.10876 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11604 164.3
[M+Na]+ 306.09798 169.9
[M-H]- 282.10148 167.3
[M+NH4]+ 301.14258 177.7
[M+K]+ 322.07192 165.8
[M+H-H2O]+ 266.10602 155.5
[M+HCOO]- 328.10696 178.0
[M+CH3COO]- 342.12261 199.1
[M+Na-2H]- 304.08343 167.3
[M]+ 283.10821 163.2
[M]- 283.10931 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe