CID 216736

1-(2-benzylbenzyl)piperazine maleate

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CN(CCN1)CC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-2-6-16(7-3-1)14-17-8-4-5-9-18(17)15-20-12-10-19-11-13-20/h1-9,19H,10-15H2
InChIKey
OFRNIISODCQAHN-UHFFFAOYSA-N
Compound name
1-[(2-benzylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 164.9
[M+Na]+ 289.16750 168.4
[M-H]- 265.17100 168.8
[M+NH4]+ 284.21210 176.9
[M+K]+ 305.14144 162.0
[M+H-H2O]+ 249.17554 154.3
[M+HCOO]- 311.17648 180.7
[M+CH3COO]- 325.19213 173.7
[M+Na-2H]- 287.15295 169.1
[M]+ 266.17773 157.7
[M]- 266.17883 157.7
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.