CID 198848

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

Structural Information

Molecular Formula
C21H22N2O5
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C21H22N2O5/c24-21(16-2-4-18-20(12-16)28-14-27-18)23-7-5-22(6-8-23)13-15-1-3-17-19(11-15)26-10-9-25-17/h1-4,11-12H,5-10,13-14H2
InChIKey
UAQAWVGDGAINNU-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-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

382.15286 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.16014 190.0
[M+Na]+ 405.14208 203.3
[M+NH4]+ 400.18668 197.0
[M+K]+ 421.11602 199.7
[M-H]- 381.14558 199.7
[M+Na-2H]- 403.12753 192.7
[M]+ 382.15231 194.7
[M]- 382.15341 194.7
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.