CID 47405

Brn 0585239

Structural Information

Molecular Formula
C22H29N3O4
SMILES
CC(=O)NC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)OC)O
InChI
InChI=1S/C22H29N3O4/c1-17(26)23-18-5-3-8-22(13-18)29-16-20(27)15-24-9-11-25(12-10-24)19-6-4-7-21(14-19)28-2/h3-8,13-14,20,27H,9-12,15-16H2,1-2H3,(H,23,26)
InChIKey
PDWXDRBYGFVQRC-UHFFFAOYSA-N
Compound name
N-[3-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.21582 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22310 198.0
[M+Na]+ 422.20504 208.7
[M+NH4]+ 417.24964 202.9
[M+K]+ 438.17898 202.8
[M-H]- 398.20854 201.7
[M+Na-2H]- 420.19049 204.0
[M]+ 399.21527 200.2
[M]- 399.21637 200.2
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.