CID 55628

87049-21-6

Structural Information

Molecular Formula
C24H40N4O5
SMILES
CC(=O)C1=C(C=CC=C1OCC(CN2CCN(CC2)C)O)OCC(CN3CCN(CC3)C)O
InChI
InChI=1S/C24H40N4O5/c1-19(29)24-22(32-17-20(30)15-27-11-7-25(2)8-12-27)5-4-6-23(24)33-18-21(31)16-28-13-9-26(3)10-14-28/h4-6,20-21,30-31H,7-18H2,1-3H3
InChIKey
JCGQOUZRUHLNLA-UHFFFAOYSA-N
Compound name
1-[2,6-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 215.1
[M+Na]+ 487.28909 222.2
[M+NH4]+ 482.33369 217.2
[M+K]+ 503.26303 218.9
[M-H]- 463.29259 215.1
[M+Na-2H]- 485.27454 215.9
[M]+ 464.29932 215.4
[M]- 464.30042 215.4
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.