CID 13711394

N,n-diisopropyl-4-(2-pyridinyl)-1-piperazineethanamine oxalate

Structural Information

Molecular Formula
C17H30N4
SMILES
CC(C)N(CCN1CCN(CC1)C2=CC=CC=N2)C(C)C
InChI
InChI=1S/C17H30N4/c1-15(2)21(16(3)4)14-11-19-9-12-20(13-10-19)17-7-5-6-8-18-17/h5-8,15-16H,9-14H2,1-4H3
InChIKey
GXMIZTDPTWXSPX-UHFFFAOYSA-N
Compound name
N-propan-2-yl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.24704 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.25432 174.8
[M+Na]+ 313.23626 176.7
[M-H]- 289.23976 176.9
[M+NH4]+ 308.28086 186.0
[M+K]+ 329.21020 174.4
[M+H-H2O]+ 273.24430 163.8
[M+HCOO]- 335.24524 189.3
[M+CH3COO]- 349.26089 211.2
[M+Na-2H]- 311.22171 175.2
[M]+ 290.24649 171.9
[M]- 290.24759 171.9
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.