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]+ 415.22276 200.7
[M+Na]+ 437.20470 203.5
[M-H]- 413.20820 205.1
[M+NH4]+ 432.24930 206.7
[M+K]+ 453.17864 200.3
[M+H-H2O]+ 397.21274 189.2
[M+HCOO]- 459.21368 213.8
[M+CH3COO]- 473.22933 224.8
[M+Na-2H]- 435.19015 198.3
[M]+ 414.21493 201.7
[M]- 414.21603 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.