CID 212417

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

Structural Information

Molecular Formula
C17H35N3O2
SMILES
CC(C)CN(CCN1CCN(CC1)C(=O)OC(C)C)C(C)C
InChI
InChI=1S/C17H35N3O2/c1-14(2)13-20(15(3)4)12-9-18-7-10-19(11-8-18)17(21)22-16(5)6/h14-16H,7-13H2,1-6H3
InChIKey
KOLKJOWBFHMEKU-UHFFFAOYSA-N
Compound name
propan-2-yl 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

313.27292 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.28020 180.1
[M+Na]+ 336.26214 186.2
[M+NH4]+ 331.30674 184.9
[M+K]+ 352.23608 182.8
[M-H]- 312.26564 179.4
[M+Na-2H]- 334.24759 180.5
[M]+ 313.27237 180.2
[M]- 313.27347 180.2
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.