CID 225778

2,3-diphenylpiperazine

Structural Information

Molecular Formula
C16H18N2
SMILES
C1CNC(C(N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2
InChIKey
NXYCTQXWYWRZDE-UHFFFAOYSA-N
Compound name
2,3-diphenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

34
Patents

238.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 156.2
[M+Na]+ 261.13622 160.3
[M-H]- 237.13972 159.2
[M+NH4]+ 256.18082 168.7
[M+K]+ 277.11016 153.4
[M+H-H2O]+ 221.14426 146.5
[M+HCOO]- 283.14520 171.2
[M+CH3COO]- 297.16085 165.3
[M+Na-2H]- 259.12167 161.2
[M]+ 238.14645 146.7
[M]- 238.14755 146.7
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