CID 3048736

Brn 0590883

Structural Information

Molecular Formula
C28H32N2O3
SMILES
C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)CCC3=CC=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C28H32N2O3/c31-26(21-29-17-19-30(20-18-29)25-9-5-2-6-10-25)22-33-27-14-12-24(13-15-27)28(32)16-11-23-7-3-1-4-8-23/h1-10,12-15,26,31H,11,16-22H2
InChIKey
SSPWOECWHUYCLB-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.24858 210.5
[M+Na]+ 467.23052 210.5
[M-H]- 443.23402 216.4
[M+NH4]+ 462.27512 213.8
[M+K]+ 483.20446 204.0
[M+H-H2O]+ 427.23856 196.8
[M+HCOO]- 489.23950 222.3
[M+CH3COO]- 503.25515 215.2
[M+Na-2H]- 465.21597 208.9
[M]+ 444.24075 206.2
[M]- 444.24185 206.2
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.