CID 3062825

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

Structural Information

Molecular Formula
C19H32N2O5
SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)CCOCCOCCO)OC
InChI
InChI=1S/C19H32N2O5/c1-23-18-4-3-17(15-19(18)24-2)16-21-7-5-20(6-8-21)9-11-25-13-14-26-12-10-22/h3-4,15,22H,5-14,16H2,1-2H3
InChIKey
BXJQKISABWPRLD-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

368.2311 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.23838 190.0
[M+Na]+ 391.22032 192.9
[M-H]- 367.22382 190.8
[M+NH4]+ 386.26492 198.6
[M+K]+ 407.19426 190.3
[M+H-H2O]+ 351.22836 179.4
[M+HCOO]- 413.22930 205.0
[M+CH3COO]- 427.24495 214.5
[M+Na-2H]- 389.20577 190.1
[M]+ 368.23055 193.9
[M]- 368.23165 193.9
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