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]+ 313.191056 176.6
[M+Na]+ 335.172998 181.7
[M-H]- 311.176504 182.5
[M+NH4]+ 330.217603 187.8
[M+K]+ 351.146938 177.2
[M+H-H2O]+ 295.181040 165.3
[M+HCOO]- 357.181981 193.8
[M+CH3COO]- 371.197631 206.7
[M+Na-2H]- 333.158446 179.1
[M]+ 312.18323142 175.2
[M]- 312.18432858 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.