CID 216744

1-((2-(phenylmethyl)phenyl)methyl)-4-(2-propynyl)piperazine dimaleate

Structural Information

Molecular Formula
C21H24N2
SMILES
C#CCN1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C21H24N2/c1-2-12-22-13-15-23(16-14-22)18-21-11-7-6-10-20(21)17-19-8-4-3-5-9-19/h1,3-11H,12-18H2
InChIKey
SNTJCYKAVAVERH-UHFFFAOYSA-N
Compound name
1-[(2-benzylphenyl)methyl]-4-prop-2-ynylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.19394 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.20122 180.0
[M+Na]+ 327.18316 194.5
[M+NH4]+ 322.22776 184.9
[M+K]+ 343.15710 181.3
[M-H]- 303.18666 177.6
[M+Na-2H]- 325.16861 185.9
[M]+ 304.19339 180.7
[M]- 304.19449 180.7
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.