CID 212447

24269-78-1

Structural Information

Molecular Formula
C19H39N3O2
SMILES
CCCCOC(=O)N1CCN(CC1)CCN(CC(C)C)CC(C)C
InChI
InChI=1S/C19H39N3O2/c1-6-7-14-24-19(23)22-12-10-20(11-13-22)8-9-21(15-17(2)3)16-18(4)5/h17-18H,6-16H2,1-5H3
InChIKey
FEZDXUKTYVOOJL-UHFFFAOYSA-N
Compound name
butyl 4-[2-[bis(2-methylpropyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.30423 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.31151 189.3
[M+Na]+ 364.29345 195.3
[M+NH4]+ 359.33805 193.8
[M+K]+ 380.26739 190.5
[M-H]- 340.29695 188.6
[M+Na-2H]- 362.27890 189.5
[M]+ 341.30368 189.4
[M]- 341.30478 189.4
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.