CID 2962065

64511-38-2

Structural Information

Molecular Formula
C21H26ClN3O3
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C21H26ClN3O3/c1-16(26)23-18-4-8-21(9-5-18)28-15-20(27)14-24-10-12-25(13-11-24)19-6-2-17(22)3-7-19/h2-9,20,27H,10-15H2,1H3,(H,23,26)
InChIKey
RCOXYMZPDULJST-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

403.16626 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17354 195.2
[M+Na]+ 426.15548 198.4
[M-H]- 402.15898 199.4
[M+NH4]+ 421.20008 202.3
[M+K]+ 442.12942 192.5
[M+H-H2O]+ 386.16352 184.5
[M+HCOO]- 448.16446 205.2
[M+CH3COO]- 462.18011 221.4
[M+Na-2H]- 424.14093 194.6
[M]+ 403.16571 194.0
[M]- 403.16681 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.