CID 13711397

Piperazine, 1-(2-pyridinyl)-4-(3-(1-pyrrolidinyl)propyl)-, ethanedioate (1:3)

Structural Information

Molecular Formula
C16H26N4
SMILES
C1CCN(C1)CCCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C16H26N4/c1-2-7-17-16(6-1)20-14-12-19(13-15-20)11-5-10-18-8-3-4-9-18/h1-2,6-7H,3-5,8-15H2
InChIKey
WODFZIBWMQUFEM-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-4-(3-pyrrolidin-1-ylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.21576 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22304 168.9
[M+Na]+ 297.20498 171.6
[M-H]- 273.20848 171.0
[M+NH4]+ 292.24958 180.2
[M+K]+ 313.17892 167.0
[M+H-H2O]+ 257.21302 156.6
[M+HCOO]- 319.21396 182.0
[M+CH3COO]- 333.22961 176.8
[M+Na-2H]- 295.19043 169.2
[M]+ 274.21521 161.9
[M]- 274.21631 161.9
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.