CID 3075559

185759-15-3

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CC1=CC=C(C=C1)C2CN(CCO2)CCOC(=O)N3CCCCC3
InChI
InChI=1S/C19H28N2O3/c1-16-5-7-17(8-6-16)18-15-20(11-13-23-18)12-14-24-19(22)21-9-3-2-4-10-21/h5-8,18H,2-4,9-15H2,1H3
InChIKey
KBOXZPWHHQHIGT-UHFFFAOYSA-N
Compound name
2-[2-(4-methylphenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 183.1
[M+Na]+ 355.199218 184.4
[M-H]- 331.202724 188.3
[M+NH4]+ 350.243823 191.6
[M+K]+ 371.173158 182.1
[M+H-H2O]+ 315.207260 171.7
[M+HCOO]- 377.208201 194.5
[M+CH3COO]- 391.223851 207.7
[M+Na-2H]- 353.184666 182.7
[M]+ 332.20945142 177.6
[M]- 332.21054858 177.6
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.