CID 985723

329779-29-5

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]+ 354.181226 184.4
[M+Na]+ 376.163168 186.9
[M-H]- 352.166674 191.4
[M+NH4]+ 371.207773 191.0
[M+K]+ 392.137108 184.4
[M+H-H2O]+ 336.171210 172.3
[M+HCOO]- 398.172151 196.6
[M+CH3COO]- 412.187801 191.9
[M+Na-2H]- 374.148616 188.6
[M]+ 353.17340142 179.4
[M]- 353.17449858 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.