CID 36558

33592-97-1

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCN1CCCC(C1)OC(=O)NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H19N3O2/c1-2-18-9-3-4-14(11-18)20-15(19)17-13-7-5-12(10-16)6-8-13/h5-8,14H,2-4,9,11H2,1H3,(H,17,19)
InChIKey
IGPQBGUKWXQYCV-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) N-(4-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 168.0
[M+Na]+ 296.13696 178.2
[M+NH4]+ 291.18156 171.5
[M+K]+ 312.11090 168.6
[M-H]- 272.14046 163.6
[M+Na-2H]- 294.12241 170.9
[M]+ 273.14719 167.1
[M]- 273.14829 167.1
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.