CID 17750440

1-benzyl-3-phenylpiperazine

Structural Information

Molecular Formula
C17H20N2
SMILES
C1CN(CC(N1)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)13-19-12-11-18-17(14-19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
KMOQMXILLUBOJL-UHFFFAOYSA-N
Compound name
1-benzyl-3-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

252.16264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 160.5
[M+Na]+ 275.15186 164.5
[M-H]- 251.15536 164.6
[M+NH4]+ 270.19646 173.1
[M+K]+ 291.12580 158.3
[M+H-H2O]+ 235.15990 150.1
[M+HCOO]- 297.16084 176.6
[M+CH3COO]- 311.17649 169.8
[M+Na-2H]- 273.13731 165.3
[M]+ 252.16209 153.0
[M]- 252.16319 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe