CID 104609

Ethyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13168 169.3
[M+Na]+ 320.11362 174.7
[M-H]- 296.11712 173.5
[M+NH4]+ 315.15822 183.3
[M+K]+ 336.08756 170.2
[M+H-H2O]+ 280.12166 161.5
[M+HCOO]- 342.12260 184.6
[M+CH3COO]- 356.13825 205.2
[M+Na-2H]- 318.09907 170.4
[M]+ 297.12385 167.0
[M]- 297.12495 167.0
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