CID 985723

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C20H23N3O3
SMILES
C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4
InChI
InChI=1S/C20H23N3O3/c24-20(21-16-6-7-18-19(14-16)26-13-12-25-18)15-22-8-10-23(11-9-22)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,21,24)
InChIKey
DYCJTEVCOZUNRH-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

353.17395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 184.4
[M+Na]+ 376.16317 186.9
[M-H]- 352.16667 191.4
[M+NH4]+ 371.20777 191.0
[M+K]+ 392.13711 184.4
[M+H-H2O]+ 336.17121 172.3
[M+HCOO]- 398.17215 196.6
[M+CH3COO]- 412.18780 191.9
[M+Na-2H]- 374.14862 188.6
[M]+ 353.17340 179.4
[M]- 353.17450 179.4
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.