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]+ 369.238376 190.0
[M+Na]+ 391.220318 192.9
[M-H]- 367.223824 190.8
[M+NH4]+ 386.264923 198.6
[M+K]+ 407.194258 190.3
[M+H-H2O]+ 351.228360 179.4
[M+HCOO]- 413.229301 205.0
[M+CH3COO]- 427.244951 214.5
[M+Na-2H]- 389.205766 190.1
[M]+ 368.23055142 193.9
[M]- 368.23164858 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