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]+ 349.24858 188.1
[M+Na]+ 371.23052 188.7
[M-H]- 347.23402 192.6
[M+NH4]+ 366.27512 199.4
[M+K]+ 387.20446 187.5
[M+H-H2O]+ 331.23856 178.0
[M+HCOO]- 393.23950 205.1
[M+CH3COO]- 407.25515 218.7
[M+Na-2H]- 369.21597 186.7
[M]+ 348.24075 188.6
[M]- 348.24185 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.