CID 212451

24269-80-5

Structural Information

Molecular Formula
C20H39N3O2
SMILES
CCCN(CCN1CCN(CC1)C(=O)OCC(C)C)C2CCCCC2
InChI
InChI=1S/C20H39N3O2/c1-4-10-22(19-8-6-5-7-9-19)14-11-21-12-15-23(16-13-21)20(24)25-17-18(2)3/h18-19H,4-17H2,1-3H3
InChIKey
PKJVWIPWEKLZBY-UHFFFAOYSA-N
Compound name
2-methylpropyl 4-[2-[cyclohexyl(propyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.30423 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.311506 193.3
[M+Na]+ 376.293448 191.0
[M-H]- 352.296954 195.1
[M+NH4]+ 371.338053 202.9
[M+K]+ 392.267388 189.6
[M+H-H2O]+ 336.301490 182.5
[M+HCOO]- 398.302431 204.4
[M+CH3COO]- 412.318081 220.5
[M+Na-2H]- 374.278896 188.9
[M]+ 353.30368142 188.6
[M]- 353.30477858 188.6
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.