CID 121102

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

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H30N2O3/c1-4-27-20-8-6-5-7-19(20)24-15-13-23(14-16-24)12-11-18-9-10-21(25-2)22(17-18)26-3/h5-10,17H,4,11-16H2,1-3H3
InChIKey
NSQCHSZFXOYJID-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

370.22565 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 193.1
[M+Na]+ 393.21487 197.6
[M-H]- 369.21837 198.8
[M+NH4]+ 388.25947 202.1
[M+K]+ 409.18881 193.2
[M+H-H2O]+ 353.22291 181.2
[M+HCOO]- 415.22385 209.4
[M+CH3COO]- 429.23950 218.8
[M+Na-2H]- 391.20032 193.3
[M]+ 370.22510 194.5
[M]- 370.22620 194.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe