CID 3045008

Piperazine, 1-phenyl-4-(2-(3-pyridyl)ethyl)-

Structural Information

Molecular Formula
C17H21N3
SMILES
C1CN(CCN1CCC2=CN=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3/c1-2-6-17(7-3-1)20-13-11-19(12-14-20)10-8-16-5-4-9-18-15-16/h1-7,9,15H,8,10-14H2
InChIKey
TXYVGFBIJKAUAP-UHFFFAOYSA-N
Compound name
1-phenyl-4-(2-pyridin-3-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.17355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 165.2
[M+Na]+ 290.16277 169.6
[M-H]- 266.16627 169.1
[M+NH4]+ 285.20737 176.4
[M+K]+ 306.13671 164.0
[M+H-H2O]+ 250.17081 153.4
[M+HCOO]- 312.17175 181.3
[M+CH3COO]- 326.18740 174.3
[M+Na-2H]- 288.14822 170.3
[M]+ 267.17300 160.0
[M]- 267.17410 160.0
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.