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

24
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

No literature data available for this compound.

Patent stripe

patents stripe