CID 3050703

Ethanone, 2-(4-(2,3-dihydroxypropyl)-1-piperazinyl)-1-(2,4,6-trimethoxyphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H28N2O6
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CN2CCN(CC2)CC(CO)O)OC
InChI
InChI=1S/C18H28N2O6/c1-24-14-8-16(25-2)18(17(9-14)26-3)15(23)11-20-6-4-19(5-7-20)10-13(22)12-21/h8-9,13,21-22H,4-7,10-12H2,1-3H3
InChIKey
DAWAPGNJANHXJB-UHFFFAOYSA-N
Compound name
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19473 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20201 187.0
[M+Na]+ 391.18395 190.4
[M-H]- 367.18745 187.3
[M+NH4]+ 386.22855 194.9
[M+K]+ 407.15789 188.6
[M+H-H2O]+ 351.19199 177.6
[M+HCOO]- 413.19293 199.3
[M+CH3COO]- 427.20858 214.0
[M+Na-2H]- 389.16940 184.5
[M]+ 368.19418 188.8
[M]- 368.19528 188.8
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.