CID 41617

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

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCCCCCCCOC1=CC=CC=C1NC(=O)OCCN2CCCCC2
InChI
InChI=1S/C22H36N2O3/c1-2-3-4-5-6-12-18-26-21-14-9-8-13-20(21)23-22(25)27-19-17-24-15-10-7-11-16-24/h8-9,13-14H,2-7,10-12,15-19H2,1H3,(H,23,25)
InChIKey
CKULITRXAUMHAV-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(2-octoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.27258 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.279856 196.2
[M+Na]+ 399.261798 196.0
[M-H]- 375.265304 198.6
[M+NH4]+ 394.306403 205.8
[M+K]+ 415.235738 192.3
[M+H-H2O]+ 359.269840 185.6
[M+HCOO]- 421.270781 213.0
[M+CH3COO]- 435.286431 220.4
[M+Na-2H]- 397.247246 195.7
[M]+ 376.27203142 196.7
[M]- 376.27312858 196.7
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.