CID 115951

1-(2,5-dimethoxybenzyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C19H24N2O2
SMILES
COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2O2/c1-22-18-8-9-19(23-2)16(14-18)15-20-10-12-21(13-11-20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKey
PFYFLYATHIETIY-UHFFFAOYSA-N
Compound name
1-[(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 176.6
[M+Na]+ 335.17300 181.7
[M-H]- 311.17650 182.5
[M+NH4]+ 330.21760 187.8
[M+K]+ 351.14694 177.2
[M+H-H2O]+ 295.18104 165.3
[M+HCOO]- 357.18198 193.8
[M+CH3COO]- 371.19763 206.7
[M+Na-2H]- 333.15845 179.1
[M]+ 312.18323 175.2
[M]- 312.18433 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.