CID 3062827

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

Structural Information

Molecular Formula
C20H34N2O6
SMILES
COC1=C(C(=C(C=C1)CN2CCN(CC2)CCOCCOCCO)OC)OC
InChI
InChI=1S/C20H34N2O6/c1-24-18-5-4-17(19(25-2)20(18)26-3)16-22-8-6-21(7-9-22)10-12-27-14-15-28-13-11-23/h4-5,23H,6-16H2,1-3H3
InChIKey
ZNVXIVAWYSFLBA-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.2417 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24898 196.7
[M+Na]+ 421.23092 199.9
[M-H]- 397.23442 197.7
[M+NH4]+ 416.27552 204.3
[M+K]+ 437.20486 197.9
[M+H-H2O]+ 381.23896 186.0
[M+HCOO]- 443.23990 211.6
[M+CH3COO]- 457.25555 220.9
[M+Na-2H]- 419.21637 195.8
[M]+ 398.24115 202.9
[M]- 398.24225 202.9
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