CID 2227392

Ethanol, 2-(2-(4-((3,4-dimethoxyphenyl)methyl)-1-piperazinyl)ethoxy)-, dihydrochloride

Structural Information

Molecular Formula
C17H28N2O4
SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)CCOCCO)OC
InChI
InChI=1S/C17H28N2O4/c1-21-16-4-3-15(13-17(16)22-2)14-19-7-5-18(6-8-19)9-11-23-12-10-20/h3-4,13,20H,5-12,14H2,1-2H3
InChIKey
HHOVMBBEBVEFCU-UHFFFAOYSA-N
Compound name
2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

324.2049 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.21218 179.1
[M+Na]+ 347.19412 183.2
[M-H]- 323.19762 180.4
[M+NH4]+ 342.23872 189.7
[M+K]+ 363.16806 180.3
[M+H-H2O]+ 307.20216 169.2
[M+HCOO]- 369.20310 194.7
[M+CH3COO]- 383.21875 206.5
[M+Na-2H]- 345.17957 180.1
[M]+ 324.20435 181.0
[M]- 324.20545 181.0
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