CID 216742

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

Structural Information

Molecular Formula
C21H26N2
SMILES
C=CCN1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C21H26N2/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/h2-11H,1,12-18H2
InChIKey
DIIFMFMSNPQEJU-UHFFFAOYSA-N
Compound name
1-[(2-benzylphenyl)methyl]-4-prop-2-enylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 177.5
[M+Na]+ 329.19882 181.4
[M-H]- 305.20232 182.6
[M+NH4]+ 324.24342 188.8
[M+K]+ 345.17276 174.5
[M+H-H2O]+ 289.20686 166.1
[M+HCOO]- 351.20780 193.9
[M+CH3COO]- 365.22345 186.1
[M+Na-2H]- 327.18427 179.7
[M]+ 306.20905 172.8
[M]- 306.21015 172.8
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.