CID 120960

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylpiperazine

Structural Information

Molecular Formula
C20H26N2O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3)OC
InChI
InChI=1S/C20H26N2O2/c1-23-19-9-8-17(16-20(19)24-2)10-11-21-12-14-22(15-13-21)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3
InChIKey
PMKSGALOAFBOTA-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 181.0
[M+Na]+ 349.188648 185.7
[M-H]- 325.192154 186.7
[M+NH4]+ 344.233253 191.7
[M+K]+ 365.162588 181.0
[M+H-H2O]+ 309.196690 169.5
[M+HCOO]- 371.197631 197.9
[M+CH3COO]- 385.213281 209.6
[M+Na-2H]- 347.174096 183.0
[M]+ 326.19888142 179.9
[M]- 326.19997858 179.9
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

patents stripe