CID 58466

101491-83-2

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCN(C(C)COC1=CC=CC=C1)C(=O)OCCN2CCCCC2C
InChI
InChI=1S/C20H32N2O3/c1-4-22(18(3)16-25-19-11-6-5-7-12-19)20(23)24-15-14-21-13-9-8-10-17(21)2/h5-7,11-12,17-18H,4,8-10,13-16H2,1-3H3
InChIKey
YQISQCCPDOUAFO-UHFFFAOYSA-N
Compound name
2-(2-methylpiperidin-1-yl)ethyl N-ethyl-N-(1-phenoxypropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.248576 188.1
[M+Na]+ 371.230518 188.7
[M-H]- 347.234024 192.6
[M+NH4]+ 366.275123 199.4
[M+K]+ 387.204458 187.5
[M+H-H2O]+ 331.238560 178.0
[M+HCOO]- 393.239501 205.1
[M+CH3COO]- 407.255151 218.7
[M+Na-2H]- 369.215966 186.7
[M]+ 348.24075142 188.6
[M]- 348.24184858 188.6
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.