CID 216730

1-methyl-4-((2-(phenylmethyl)phenyl)methyl)piperazine maleate

Structural Information

Molecular Formula
C19H24N2
SMILES
CN1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C19H24N2/c1-20-11-13-21(14-12-20)16-19-10-6-5-9-18(19)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKey
DENMFAXXQBDZBM-UHFFFAOYSA-N
Compound name
1-[(2-benzylphenyl)methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 169.7
[M+Na]+ 303.18316 174.2
[M-H]- 279.18666 175.2
[M+NH4]+ 298.22776 182.1
[M+K]+ 319.15710 168.4
[M+H-H2O]+ 263.19120 158.7
[M+HCOO]- 325.19214 186.6
[M+CH3COO]- 339.20779 179.1
[M+Na-2H]- 301.16861 173.0
[M]+ 280.19339 165.1
[M]- 280.19449 165.1
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.