CID 216740

1-(2-benzylbenzyl)-4-(n-butyl)piperazine di(hydrogen maleate)

Structural Information

Molecular Formula
C22H30N2
SMILES
CCCCN1CCN(CC1)CC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C22H30N2/c1-2-3-13-23-14-16-24(17-15-23)19-22-12-8-7-11-21(22)18-20-9-5-4-6-10-20/h4-12H,2-3,13-19H2,1H3
InChIKey
BQCZYVMNSCQBBY-UHFFFAOYSA-N
Compound name
1-[(2-benzylphenyl)methyl]-4-butylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2409 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 184.5
[M+Na]+ 345.23012 199.4
[M+NH4]+ 340.27472 193.2
[M+K]+ 361.20406 188.6
[M-H]- 321.23362 191.0
[M+Na-2H]- 343.21557 194.2
[M]+ 322.24035 188.7
[M]- 322.24145 188.7
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.