CID 56751

Sch 3791

Structural Information

Molecular Formula
C19H35N3O3
SMILES
CCC(CN1CCCCC1)(C(=O)NCN2CCCCC2)C(=O)OCC
InChI
InChI=1S/C19H35N3O3/c1-3-19(18(24)25-4-2,15-21-11-7-5-8-12-21)17(23)20-16-22-13-9-6-10-14-22/h3-16H2,1-2H3,(H,20,23)
InChIKey
IHFKPQPFEYVEIQ-UHFFFAOYSA-N
Compound name
ethyl 2-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylcarbamoyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.26785 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.27513 189.5
[M+Na]+ 376.25707 187.0
[M-H]- 352.26057 189.9
[M+NH4]+ 371.30167 198.0
[M+K]+ 392.23101 185.1
[M+H-H2O]+ 336.26511 179.5
[M+HCOO]- 398.26605 199.2
[M+CH3COO]- 412.28170 214.8
[M+Na-2H]- 374.24252 188.3
[M]+ 353.26730 183.0
[M]- 353.26840 183.0
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.