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

21
Patents

253.1579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 160.9
[M+Na]+ 276.14712 165.7
[M-H]- 252.15062 164.9
[M+NH4]+ 271.19172 172.6
[M+K]+ 292.12106 160.3
[M+H-H2O]+ 236.15516 149.2
[M+HCOO]- 298.15610 177.3
[M+CH3COO]- 312.17175 170.4
[M+Na-2H]- 274.13257 166.5
[M]+ 253.15735 155.3
[M]- 253.15845 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