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 192.0
[M+Na]+ 364.29345 191.9
[M-H]- 340.29695 191.7
[M+NH4]+ 359.33805 202.9
[M+K]+ 380.26739 191.3
[M+H-H2O]+ 324.30149 182.5
[M+HCOO]- 386.30243 205.5
[M+CH3COO]- 400.31808 221.6
[M+Na-2H]- 362.27890 187.5
[M]+ 341.30368 193.4
[M]- 341.30478 193.4
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.