CID 28764

Acetophenone, 2-(4-(2-(2-hydroxyethoxy)ethyl)piperazinyl)-3',4',5'-trimethoxy-, hydrobromide

Structural Information

Molecular Formula
C19H30N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)CCOCCO
InChI
InChI=1S/C19H30N2O6/c1-24-17-12-15(13-18(25-2)19(17)26-3)16(23)14-21-6-4-20(5-7-21)8-10-27-11-9-22/h12-13,22H,4-11,14H2,1-3H3
InChIKey
RWSOXWLMZPKDPS-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2104 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21768 192.5
[M+Na]+ 405.19962 201.8
[M+NH4]+ 400.24422 196.1
[M+K]+ 421.17356 197.2
[M-H]- 381.20312 192.3
[M+Na-2H]- 403.18507 194.5
[M]+ 382.20985 193.3
[M]- 382.21095 193.3
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

No patent data available for this compound.