CID 212397

24269-52-1

Structural Information

Molecular Formula
C17H35N3O2
SMILES
CCOC(=O)N1CCN(CC1)CCN(CC(C)C)CC(C)C
InChI
InChI=1S/C17H35N3O2/c1-6-22-17(21)20-11-9-18(10-12-20)7-8-19(13-15(2)3)14-16(4)5/h15-16H,6-14H2,1-5H3
InChIKey
APORSJAFJOQEQK-UHFFFAOYSA-N
Compound name
ethyl 4-[2-[bis(2-methylpropyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.27292 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.28020 180.7
[M+Na]+ 336.26214 187.1
[M+NH4]+ 331.30674 185.6
[M+K]+ 352.23608 182.8
[M-H]- 312.26564 180.2
[M+Na-2H]- 334.24759 181.4
[M]+ 313.27237 180.9
[M]- 313.27347 180.9
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.