CID 58472

101491-86-5

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCN(C(C)COC1=CC(=CC(=C1)C)C)C(=O)OCCN2CCCCC2C
InChI
InChI=1S/C22H36N2O3/c1-6-24(20(5)16-27-21-14-17(2)13-18(3)15-21)22(25)26-12-11-23-10-8-7-9-19(23)4/h13-15,19-20H,6-12,16H2,1-5H3
InChIKey
HMSUMAMOEYALGC-UHFFFAOYSA-N
Compound name
2-(2-methylpiperidin-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.27258 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.279856 196.6
[M+Na]+ 399.261798 198.3
[M-H]- 375.265304 201.5
[M+NH4]+ 394.306403 207.5
[M+K]+ 415.235738 196.7
[M+H-H2O]+ 359.269840 186.7
[M+HCOO]- 421.270781 212.9
[M+CH3COO]- 435.286431 227.1
[M+Na-2H]- 397.247246 192.8
[M]+ 376.27203142 198.6
[M]- 376.27312858 198.6
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.