CID 116041

63980-43-8

Structural Information

Molecular Formula
C16H19N3
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC=NC=C3
InChI
InChI=1S/C16H19N3/c1-2-4-15(5-3-1)14-18-10-12-19(13-11-18)16-6-8-17-9-7-16/h1-9H,10-14H2
InChIKey
GSKPQNFOPJYZEC-UHFFFAOYSA-N
Compound name
1-benzyl-4-pyridin-4-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

253.1579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.165176 160.9
[M+Na]+ 276.147118 165.7
[M-H]- 252.150624 164.9
[M+NH4]+ 271.191723 172.6
[M+K]+ 292.121058 160.3
[M+H-H2O]+ 236.155160 149.2
[M+HCOO]- 298.156101 177.3
[M+CH3COO]- 312.171751 170.4
[M+Na-2H]- 274.132566 166.5
[M]+ 253.15735142 155.3
[M]- 253.15844858 155.3
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

patents stripe