CID 56486

Mc 1-2

Structural Information

Molecular Formula
C22H27N3O4
SMILES
C1CN(CCN1CCOC2=CC=CC=C2)CNC(=O)C3COC4=CC=CC=C4O3
InChI
InChI=1S/C22H27N3O4/c26-22(21-16-28-19-8-4-5-9-20(19)29-21)23-17-25-12-10-24(11-13-25)14-15-27-18-6-2-1-3-7-18/h1-9,21H,10-17H2,(H,23,26)
InChIKey
WUPFEWUPIUCGBR-UHFFFAOYSA-N
Compound name
N-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.20016 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.20744 197.8
[M+Na]+ 420.18938 209.8
[M+NH4]+ 415.23398 204.0
[M+K]+ 436.16332 202.9
[M-H]- 396.19288 205.5
[M+Na-2H]- 418.17483 203.2
[M]+ 397.19961 201.5
[M]- 397.20071 201.5
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.