CID 4998324

Ethyl 1-[(4-cyanophenyl)carbamoyl]piperidine-4-carboxylate

Structural Information

Molecular Formula
C16H19N3O3
SMILES
CCOC(=O)C1CCN(CC1)C(=O)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H19N3O3/c1-2-22-15(20)13-7-9-19(10-8-13)16(21)18-14-5-3-12(11-17)4-6-14/h3-6,13H,2,7-10H2,1H3,(H,18,21)
InChIKey
YSBMIIKGAILDBH-UHFFFAOYSA-N
Compound name
ethyl 1-[(4-cyanophenyl)carbamoyl]piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.14264 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 173.7
[M+Na]+ 324.13186 183.0
[M+NH4]+ 319.17646 176.2
[M+K]+ 340.10580 174.4
[M-H]- 300.13536 168.4
[M+Na-2H]- 322.11731 175.6
[M]+ 301.14209 172.3
[M]- 301.14319 172.3
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.