CID 98031

1-benzyl-2-phenylpiperazine

Structural Information

Molecular Formula
C17H20N2
SMILES
C1CN(C(CN1)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)14-19-12-11-18-13-17(19)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
FELMQTQLBFMOHQ-UHFFFAOYSA-N
Compound name
1-benzyl-2-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

252.16264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.169916 160.5
[M+Na]+ 275.151858 164.5
[M-H]- 251.155364 164.6
[M+NH4]+ 270.196463 173.1
[M+K]+ 291.125798 158.3
[M+H-H2O]+ 235.159900 150.1
[M+HCOO]- 297.160841 176.6
[M+CH3COO]- 311.176491 169.8
[M+Na-2H]- 273.137306 165.3
[M]+ 252.16209142 153.0
[M]- 252.16318858 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

No literature data available for this compound.

Patent stripe

patents stripe