CID 201194

Piperazine, 1-(1,4-benzodioxan-6-ylcarbonyl)-4-(1,4-benzodioxan-6-ylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C22H24N2O5
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(C=C4)OCCO5
InChI
InChI=1S/C22H24N2O5/c25-22(17-2-4-19-21(14-17)29-12-10-27-19)24-7-5-23(6-8-24)15-16-1-3-18-20(13-16)28-11-9-26-18/h1-4,13-14H,5-12,15H2
InChIKey
KZJKSDJVQWSVFO-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.175796 194.7
[M+Na]+ 419.157738 197.5
[M-H]- 395.161244 203.3
[M+NH4]+ 414.202343 197.8
[M+K]+ 435.131678 197.8
[M+H-H2O]+ 379.165780 182.1
[M+HCOO]- 441.166721 200.1
[M+CH3COO]- 455.182371 201.3
[M+Na-2H]- 417.143186 197.4
[M]+ 396.16797142 191.0
[M]- 396.16906858 191.0
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.