CID 120977

Brn 0627235

Structural Information

Molecular Formula
C21H28N2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H28N2O3/c1-24-19-7-5-18(6-8-19)23-14-12-22(13-15-23)11-10-17-4-9-20(25-2)21(16-17)26-3/h4-9,16H,10-15H2,1-3H3
InChIKey
XILTUGULAKXPOZ-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

356.21 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 188.7
[M+Na]+ 379.19922 193.7
[M-H]- 355.20272 194.6
[M+NH4]+ 374.24382 198.3
[M+K]+ 395.17316 189.5
[M+H-H2O]+ 339.20726 177.0
[M+HCOO]- 401.20820 205.4
[M+CH3COO]- 415.22385 215.9
[M+Na-2H]- 377.18467 189.5
[M]+ 356.20945 189.8
[M]- 356.21055 189.8
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

patents stripe