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 191.2
[M+Na]+ 405.19962 194.9
[M-H]- 381.20312 192.6
[M+NH4]+ 400.24422 199.3
[M+K]+ 421.17356 193.0
[M+H-H2O]+ 365.20766 181.1
[M+HCOO]- 427.20860 205.6
[M+CH3COO]- 441.22425 218.2
[M+Na-2H]- 403.18507 189.8
[M]+ 382.20985 195.8
[M]- 382.21095 195.8
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.