CID 3019713

Ethyl 4-cyano-4-(phenylamino)piperidine-1-carboxylate

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCOC(=O)N1CCC(CC1)(C#N)NC2=CC=CC=C2
InChI
InChI=1S/C15H19N3O2/c1-2-20-14(19)18-10-8-15(12-16,9-11-18)17-13-6-4-3-5-7-13/h3-7,17H,2,8-11H2,1H3
InChIKey
FLFATCQHLCJCDS-UHFFFAOYSA-N
Compound name
ethyl 4-anilino-4-cyanopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 164.6
[M+Na]+ 296.136958 171.5
[M-H]- 272.140464 167.8
[M+NH4]+ 291.181563 178.8
[M+K]+ 312.110898 166.7
[M+H-H2O]+ 256.145000 150.0
[M+HCOO]- 318.145941 180.3
[M+CH3COO]- 332.161591 208.7
[M+Na-2H]- 294.122406 168.3
[M]+ 273.14719142 156.6
[M]- 273.14828858 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.