CID 206346

Brn 0855718

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CCC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)OC)O
InChI
InChI=1S/C23H30N2O4/c1-3-23(27)18-6-4-9-22(14-18)29-17-20(26)16-24-10-12-25(13-11-24)19-7-5-8-21(15-19)28-2/h4-9,14-15,20,26H,3,10-13,16-17H2,1-2H3
InChIKey
ZCWKLZVHEKATHN-UHFFFAOYSA-N
Compound name
1-[3-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.227826 198.1
[M+Na]+ 421.209768 200.2
[M-H]- 397.213274 202.0
[M+NH4]+ 416.254373 204.5
[M+K]+ 437.183708 196.0
[M+H-H2O]+ 381.217810 186.5
[M+HCOO]- 443.218751 210.9
[M+CH3COO]- 457.234401 221.3
[M+Na-2H]- 419.195216 196.2
[M]+ 398.22000142 197.1
[M]- 398.22109858 197.1
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.