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]+ 377.27986 196.6
[M+Na]+ 399.26180 198.3
[M-H]- 375.26530 201.5
[M+NH4]+ 394.30640 207.5
[M+K]+ 415.23574 196.7
[M+H-H2O]+ 359.26984 186.7
[M+HCOO]- 421.27078 212.9
[M+CH3COO]- 435.28643 227.1
[M+Na-2H]- 397.24725 192.8
[M]+ 376.27203 198.6
[M]- 376.27313 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.