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 182.5
[M+Na]+ 336.26214 183.2
[M-H]- 312.26564 182.8
[M+NH4]+ 331.30674 194.6
[M+K]+ 352.23608 183.6
[M+H-H2O]+ 296.27018 173.7
[M+HCOO]- 358.27112 195.7
[M+CH3COO]- 372.28677 216.6
[M+Na-2H]- 334.24759 178.0
[M]+ 313.27237 182.6
[M]- 313.27347 182.6
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.