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]+ 373.21218 191.4
[M+Na]+ 395.19412 196.1
[M-H]- 371.19762 197.3
[M+NH4]+ 390.23872 200.2
[M+K]+ 411.16806 192.6
[M+H-H2O]+ 355.20216 179.4
[M+HCOO]- 417.20310 208.2
[M+CH3COO]- 431.21875 218.0
[M+Na-2H]- 393.17957 192.3
[M]+ 372.20435 193.8
[M]- 372.20545 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.