CID 41609

(4-(hexyloxy)phenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCCCOC1=CC=C(C=C1)NC(=O)OCCN2CCCCC2
InChI
InChI=1S/C20H32N2O3/c1-2-3-4-8-16-24-19-11-9-18(10-12-19)21-20(23)25-17-15-22-13-6-5-7-14-22/h9-12H,2-8,13-17H2,1H3,(H,21,23)
InChIKey
FQXHIXFCAAQJJW-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(4-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.248576 187.5
[M+Na]+ 371.230518 188.2
[M-H]- 347.234024 190.4
[M+NH4]+ 366.275123 198.3
[M+K]+ 387.204458 185.0
[M+H-H2O]+ 331.238560 177.3
[M+HCOO]- 393.239501 205.0
[M+CH3COO]- 407.255151 214.5
[M+Na-2H]- 369.215966 188.0
[M]+ 348.24075142 187.3
[M]- 348.24184858 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.