CID 13711396

1-piperazinepropanamine, n,n-diethyl-4-(2-pyridinyl)-, ethanedioate (1:3)

Structural Information

Molecular Formula
C16H28N4
SMILES
CCN(CC)CCCN1CCN(CC1)C2=CC=CC=N2
InChI
InChI=1S/C16H28N4/c1-3-18(4-2)10-7-11-19-12-14-20(15-13-19)16-8-5-6-9-17-16/h5-6,8-9H,3-4,7,10-15H2,1-2H3
InChIKey
MSTPVBXIBDPPAO-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.23138 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.23866 170.5
[M+Na]+ 299.22060 173.3
[M-H]- 275.22410 172.5
[M+NH4]+ 294.26520 182.3
[M+K]+ 315.19454 170.2
[M+H-H2O]+ 259.22864 159.2
[M+HCOO]- 321.22958 187.3
[M+CH3COO]- 335.24523 206.5
[M+Na-2H]- 297.20605 173.6
[M]+ 276.23083 168.3
[M]- 276.23193 168.3
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.