CID 120966

Piperazine, 1-(o-aminophenyl)-4-(3,4-dimethoxyphenethyl)-

Structural Information

Molecular Formula
C20H27N3O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3N)OC
InChI
InChI=1S/C20H27N3O2/c1-24-19-8-7-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-3-5-17(18)21/h3-8,15H,9-14,21H2,1-2H3
InChIKey
PVHHQZFDRWRYTD-UHFFFAOYSA-N
Compound name
2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.217606 185.3
[M+Na]+ 364.199548 190.0
[M-H]- 340.203054 190.9
[M+NH4]+ 359.244153 195.0
[M+K]+ 380.173488 185.0
[M+H-H2O]+ 324.207590 173.9
[M+HCOO]- 386.208531 202.6
[M+CH3COO]- 400.224181 215.3
[M+Na-2H]- 362.184996 186.1
[M]+ 341.20978142 183.1
[M]- 341.21087858 183.1
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.