CID 216730

Piperazine, 1-methyl-4-((2-(phenylmethyl)phenyl)methyl)-, (z)-2-butenedioate (1:1)

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]+ 281.201216 169.7
[M+Na]+ 303.183158 174.2
[M-H]- 279.186664 175.2
[M+NH4]+ 298.227763 182.1
[M+K]+ 319.157098 168.4
[M+H-H2O]+ 263.191200 158.7
[M+HCOO]- 325.192141 186.6
[M+CH3COO]- 339.207791 179.1
[M+Na-2H]- 301.168606 173.0
[M]+ 280.19339142 165.1
[M]- 280.19448858 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.