CID 2223596

2-(2-(4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)ethoxy)ethanol dihydrochloride

Structural Information

Molecular Formula
C18H30N2O5
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CCOCCO)OC)OC
InChI
InChI=1S/C18H30N2O5/c1-22-16-5-4-15(17(23-2)18(16)24-3)14-20-8-6-19(7-9-20)10-12-25-13-11-21/h4-5,21H,6-14H2,1-3H3
InChIKey
GGEZZVPUSJSFRI-UHFFFAOYSA-N
Compound name
2-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.21548 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.22276 186.1
[M+Na]+ 377.20470 190.4
[M-H]- 353.20820 187.5
[M+NH4]+ 372.24930 195.6
[M+K]+ 393.17864 188.1
[M+H-H2O]+ 337.21274 176.0
[M+HCOO]- 399.21368 201.4
[M+CH3COO]- 413.22933 212.9
[M+Na-2H]- 375.19015 186.0
[M]+ 354.21493 190.1
[M]- 354.21603 190.1
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