CID 55421

Brn 4019111

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C22H29N3O3/c1-18(26)23-19-8-10-20(11-9-19)28-17-5-12-24-13-15-25(16-14-24)21-6-3-4-7-22(21)27-2/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)
InChIKey
CLCFXDSSPUCCKP-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.2209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 195.7
[M+Na]+ 406.21012 207.8
[M+NH4]+ 401.25472 201.7
[M+K]+ 422.18406 200.2
[M-H]- 382.21362 200.6
[M+Na-2H]- 404.19557 203.1
[M]+ 383.22035 198.6
[M]- 383.22145 198.6
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.