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 202.0
[M+Na]+ 425.27746 199.9
[M-H]- 401.28096 206.8
[M+NH4]+ 420.32206 209.8
[M+K]+ 441.25140 195.9
[M+H-H2O]+ 385.28550 190.4
[M+HCOO]- 447.28644 215.0
[M+CH3COO]- 461.30209 224.7
[M+Na-2H]- 423.26291 199.2
[M]+ 402.28769 196.4
[M]- 402.28879 196.4
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.