CID 1099024

Piperazine, 1-(2-ethoxyphenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H30N2O4
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C22H30N2O4/c1-5-28-19-9-7-6-8-18(19)24-12-10-23(11-13-24)16-17-14-20(25-2)22(27-4)21(15-17)26-3/h6-9,14-15H,5,10-13,16H2,1-4H3
InChIKey
LMOGEOIHIWFDKE-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

386.22055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22783 196.2
[M+Na]+ 409.20977 201.4
[M-H]- 385.21327 202.3
[M+NH4]+ 404.25437 204.7
[M+K]+ 425.18371 197.8
[M+H-H2O]+ 369.21781 184.3
[M+HCOO]- 431.21875 212.6
[M+CH3COO]- 445.23440 222.2
[M+Na-2H]- 407.19522 195.8
[M]+ 386.22000 199.4
[M]- 386.22110 199.4
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