CID 58468

C 2138

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCN(C(C)COC1=CC=CC=C1C)C(=O)OCCN2CCCCC2C
InChI
InChI=1S/C21H34N2O3/c1-5-23(19(4)16-26-20-12-7-6-10-17(20)2)21(24)25-15-14-22-13-9-8-11-18(22)3/h6-7,10,12,18-19H,5,8-9,11,13-16H2,1-4H3
InChIKey
ODBYEGHRBAQLLV-UHFFFAOYSA-N
Compound name
2-(2-methylpiperidin-1-yl)ethyl N-ethyl-N-[1-(2-methylphenoxy)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 192.4
[M+Na]+ 385.24618 193.6
[M-H]- 361.24968 197.1
[M+NH4]+ 380.29078 203.5
[M+K]+ 401.22012 192.1
[M+H-H2O]+ 345.25422 182.4
[M+HCOO]- 407.25516 209.1
[M+CH3COO]- 421.27081 222.9
[M+Na-2H]- 383.23163 189.8
[M]+ 362.25641 193.7
[M]- 362.25751 193.7
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.