CID 120960

1047-68-3

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

0
Patents

326.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 181.0
[M+Na]+ 349.18865 185.7
[M-H]- 325.19215 186.7
[M+NH4]+ 344.23325 191.7
[M+K]+ 365.16259 181.0
[M+H-H2O]+ 309.19669 169.5
[M+HCOO]- 371.19763 197.9
[M+CH3COO]- 385.21328 209.6
[M+Na-2H]- 347.17410 183.0
[M]+ 326.19888 179.9
[M]- 326.19998 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