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 171.3
[M+Na]+ 324.13186 177.2
[M-H]- 300.13536 174.3
[M+NH4]+ 319.17646 182.6
[M+K]+ 340.10580 173.3
[M+H-H2O]+ 284.13990 156.0
[M+HCOO]- 346.14084 186.0
[M+CH3COO]- 360.15649 214.4
[M+Na-2H]- 322.11731 171.7
[M]+ 301.14209 163.5
[M]- 301.14319 163.5
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.