CID 55626

Ethanone, 1-(2,5-bis(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride

Structural Information

Molecular Formula
C24H40N4O5
SMILES
CC(=O)C1=C(C=CC(=C1)OCC(CN2CCN(CC2)C)O)OCC(CN3CCN(CC3)C)O
InChI
InChI=1S/C24H40N4O5/c1-19(29)23-14-22(32-17-20(30)15-27-10-6-25(2)7-11-27)4-5-24(23)33-18-21(31)16-28-12-8-26(3)9-13-28/h4-5,14,20-21,30-31H,6-13,15-18H2,1-3H3
InChIKey
VSWJVOAJILZJIR-UHFFFAOYSA-N
Compound name
1-[2,5-bis[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.29987 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.30715 215.3
[M+Na]+ 487.28909 213.9
[M-H]- 463.29259 214.3
[M+NH4]+ 482.33369 215.4
[M+K]+ 503.26303 210.4
[M+H-H2O]+ 447.29713 202.9
[M+HCOO]- 509.29807 218.5
[M+CH3COO]- 523.31372 233.1
[M+Na-2H]- 485.27454 208.4
[M]+ 464.29932 211.1
[M]- 464.30042 211.1
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.