CID 3050705

Ethanone, 2-(4-(2-hydroxy-2-phenylethyl)-1-piperazinyl)-1-(2,4-trimethoxyphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H30N2O5
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CN2CCN(CC2)CC(C3=CC=CC=C3)O)OC
InChI
InChI=1S/C23H30N2O5/c1-28-18-13-21(29-2)23(22(14-18)30-3)20(27)16-25-11-9-24(10-12-25)15-19(26)17-7-5-4-6-8-17/h4-8,13-14,19,26H,9-12,15-16H2,1-3H3
InChIKey
QKEAFFZNWNOSPT-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-(2,4,6-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.21548 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.222756 200.7
[M+Na]+ 437.204698 203.5
[M-H]- 413.208204 205.1
[M+NH4]+ 432.249303 206.7
[M+K]+ 453.178638 200.3
[M+H-H2O]+ 397.212740 189.2
[M+HCOO]- 459.213681 213.8
[M+CH3COO]- 473.229331 224.8
[M+Na-2H]- 435.190146 198.3
[M]+ 414.21493142 201.7
[M]- 414.21602858 201.7
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.