CID 46996

64050-24-4

Structural Information

Molecular Formula
C26H28N2O4
SMILES
C1CN(CCN1CC(COC2=CC=CC(=C2O)C(=O)C3=CC=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O4/c29-22(18-27-14-16-28(17-15-27)21-10-5-2-6-11-21)19-32-24-13-7-12-23(26(24)31)25(30)20-8-3-1-4-9-20/h1-13,22,29,31H,14-19H2
InChIKey
XJTMDSXHBWRRDU-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2049 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 204.7
[M+Na]+ 455.19412 206.0
[M-H]- 431.19762 210.3
[M+NH4]+ 450.23872 208.2
[M+K]+ 471.16806 200.1
[M+H-H2O]+ 415.20216 192.0
[M+HCOO]- 477.20310 216.1
[M+CH3COO]- 491.21875 210.0
[M+Na-2H]- 453.17957 203.4
[M]+ 432.20435 200.1
[M]- 432.20545 200.1
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.