CID 212457

1-piperazinecarboxylic acid, 4-(2-(isobutylisopropylamino)ethyl)-, cyclohexyl ester, hydrochloride

Structural Information

Molecular Formula
C20H39N3O2
SMILES
CC(C)CN(CCN1CCN(CC1)C(=O)OC2CCCCC2)C(C)C
InChI
InChI=1S/C20H39N3O2/c1-17(2)16-23(18(3)4)15-12-21-10-13-22(14-11-21)20(24)25-19-8-6-5-7-9-19/h17-19H,5-16H2,1-4H3
InChIKey
SPZNQKYLMMJPSD-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-[2-methylpropyl(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.30423 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.31151 193.0
[M+Na]+ 376.29345 190.5
[M-H]- 352.29695 194.9
[M+NH4]+ 371.33805 202.5
[M+K]+ 392.26739 189.6
[M+H-H2O]+ 336.30149 182.5
[M+HCOO]- 398.30243 203.1
[M+CH3COO]- 412.31808 221.4
[M+Na-2H]- 374.27890 187.5
[M]+ 353.30368 187.7
[M]- 353.30478 187.7
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.