CID 200399

Brn 0579537

Structural Information

Molecular Formula
C21H28N2O4
SMILES
COC1=C(C=C(C=C1)OCCN2CCN(CC2)C3=CC=CC=C3OC)OC
InChI
InChI=1S/C21H28N2O4/c1-24-19-7-5-4-6-18(19)23-12-10-22(11-13-23)14-15-27-17-8-9-20(25-2)21(16-17)26-3/h4-9,16H,10-15H2,1-3H3
InChIKey
APQQTIQAPWZVCA-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenoxy)ethyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2049 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.212176 191.4
[M+Na]+ 395.194118 196.1
[M-H]- 371.197624 197.3
[M+NH4]+ 390.238723 200.2
[M+K]+ 411.168058 192.6
[M+H-H2O]+ 355.202160 179.4
[M+HCOO]- 417.203101 208.2
[M+CH3COO]- 431.218751 218.0
[M+Na-2H]- 393.179566 192.3
[M]+ 372.20435142 193.8
[M]- 372.20544858 193.8
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.