CID 3062777

98897-38-2

Structural Information

Molecular Formula
C21H28N2
SMILES
CC(C)CN1CCN(C(C1)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H28N2/c1-18(2)15-22-13-14-23(16-19-9-5-3-6-10-19)21(17-22)20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3
InChIKey
ZXAMEOZETFOSGW-UHFFFAOYSA-N
Compound name
1-benzyl-4-(2-methylpropyl)-2-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 178.5
[M+Na]+ 331.21447 181.7
[M-H]- 307.21797 183.6
[M+NH4]+ 326.25907 189.6
[M+K]+ 347.18841 176.0
[M+H-H2O]+ 291.22251 167.2
[M+HCOO]- 353.22345 193.6
[M+CH3COO]- 367.23910 186.9
[M+Na-2H]- 329.19992 179.5
[M]+ 308.22470 173.9
[M]- 308.22580 173.9
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

No patent data available for this compound.