CID 55629

Brn 4621074

Structural Information

Molecular Formula
C34H44N4O5
SMILES
CC(=O)C1=C(C=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)OCC(CN4CCN(CC4)C5=CC=CC=C5)O
InChI
InChI=1S/C34H44N4O5/c1-27(39)33-13-12-32(42-25-30(40)23-35-14-18-37(19-15-35)28-8-4-2-5-9-28)22-34(33)43-26-31(41)24-36-16-20-38(21-17-36)29-10-6-3-7-11-29/h2-13,22,30-31,40-41H,14-21,23-26H2,1H3
InChIKey
DSGYTJCWROQQCG-UHFFFAOYSA-N
Compound name
1-[2,4-bis[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.3312 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.33848 245.5
[M+Na]+ 611.32042 256.2
[M+NH4]+ 606.36502 248.1
[M+K]+ 627.29436 249.8
[M-H]- 587.32392 250.9
[M+Na-2H]- 609.30587 251.8
[M]+ 588.33065 248.2
[M]- 588.33175 248.2
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.