CID 3032952

(e)-2-piperidinocyclohexyl p-hexyloxycarbanilate hydrochloride

Structural Information

Molecular Formula
C24H38N2O3
SMILES
CCCCCCOC1=CC=C(C=C1)NC(=O)O[C@H]2CCCC[C@@H]2N3CCCCC3
InChI
InChI=1S/C24H38N2O3/c1-2-3-4-10-19-28-21-15-13-20(14-16-21)25-24(27)29-23-12-7-6-11-22(23)26-17-8-5-9-18-26/h13-16,22-23H,2-12,17-19H2,1H3,(H,25,27)/t22-,23-/m0/s1
InChIKey
WYAOBOLQPZDBBO-GOTSBHOMSA-N
Compound name
[(1S,2S)-2-piperidin-1-ylcyclohexyl] N-(4-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.28824 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.29552 204.2
[M+Na]+ 425.27746 212.9
[M+NH4]+ 420.32206 210.5
[M+K]+ 441.25140 204.9
[M-H]- 401.28096 209.1
[M+Na-2H]- 423.26291 209.0
[M]+ 402.28769 206.5
[M]- 402.28879 206.5
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.